RK2
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Created: | 2020-09-30 |
Last modified: | 2021-05-26 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 1 |
Bond Count | 52 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
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Name | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
Systematic Name (OpenEye OEToolkits) | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
Formula | C20 H21 N7 O |
Molecular Weight | 375.427 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CC(C)Oc3ccccn3)c4cc(nc(c4)N)N |
Canonical SMILES | CACTVS | 3.385 | C[C@H](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N |
InChI | InChI | 1.03 | InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | CCUMIOKJQCVBML-GFCCVEGCSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 135336092 |