DWM

(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

Created: 2017-11-10
Last modified:  2018-07-25

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Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count2
Bond Count69
Aromatic Bond Count22
2D diagram of DWM
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Chemical Component Summary

Name(7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)(7~{R})-1-[(4-fluorophenyl)methyl]-7-methyl-~{N}-[3-[(1~{R})-1-oxidanylethyl]phenyl]-5-(1~{H}-pyrrol-2-ylcarbonyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
FormulaC28 H28 F N5 O3
Molecular Weight501.552
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01n4c(C(Nc1cccc(c1)C(C)O)=O)c3CN(C(c2cccn2)=O)CC(c3n4Cc5ccc(F)cc5)C
SMILESCACTVS3.385C[CH](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c4[CH](C)CN(Cc24)C(=O)c5[nH]ccc5)c1
SMILESOpenEye OEToolkits2.0.6CC1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)C(C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5
Canonical SMILESCACTVS3.385 C[C@@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c4[C@H](C)CN(Cc24)C(=O)c5[nH]ccc5)c1
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5
InChIInChI1.03 InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18-/m1/s1
InChIKeyInChI1.03 IVFDDVKCCBDPQZ-QZTJIDSGSA-N

Related Resource References

Resource NameReference
PubChem 134693801