2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid

C30H37N7O2 — CID 90691263

IUPAC2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1cnc(NC2CCCCC2)c(N)c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1
InChIInChI=1S/C18H18N4O2.C12H19N3/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15)
InChIKeyJZSNVTXKFTUWBU-UHFFFAOYSA-N
MW527.67 g/mol
LogP6.41
Rot. Bonds5

About 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid

2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 90691263) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID90691263
Molecular FormulaC30H37N7O2
Molecular Weight527.67 g/mol
Exact Mass527.30
IUPAC Name2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1cnc(NC2CCCCC2)c(N)c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1
InChIInChI=1S/C18H18N4O2.C12H19N3/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15)
InChIKeyJZSNVTXKFTUWBU-UHFFFAOYSA-N
XLogP6.41
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

3-[(1-Methyl-1h-Pyrrolo[2,3-B]pyridin-3-Yl)amino]pyridine-4-Carboxylic Acid
CID 76283751
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
2-[[[1-[(E)-3-phenylprop-2-enyl]imidazol-2-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118421047
(R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino)nicotinic acid
CID 68029369
4-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11167180
4-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11316515
4-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-2-propylamino-quinoline-3-carboxylic acid
CID 11352388
4-[4-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11374350
1-{1-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-1H-pyrrole-2-carboxylic acid
CID 44293815
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
methyl 6-[[2-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]pyridine-3-carboxylate
CID 145976798
2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 56644830

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 90691263) is 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid is Cc1cnc(NC2CCCCC2)c(N)c1.O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is JZSNVTXKFTUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C12H19N3/c23-18(24)12-10-15-16(20-11-12)22(13-6-2-1-3-7-13)17(21-15)14-8-4-5-9-19-14;1-9-7-11(13)12(14-8-9)15-10-5-3-2-4-6-10/h4-5,8-11,13H,1-3,6-7H2,(H,23,24);7-8,10H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid?
2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 527.67 g/mol, XLogP of 6.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 90691263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).