N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide

C19H25N7O — CID 176505585

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)NCc3nncn3C3CCCCC3)cnc21
InChIInChI=1S/C19H25N7O/c1-13(2)25-11-22-16-8-14(9-20-18(16)25)19(27)21-10-17-24-23-12-26(17)15-6-4-3-5-7-15/h8-9,11-13,15H,3-7,10H2,1-2H3,(H,21,27)
InChIKeyLQPUUKDTZWDDGZ-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.04
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176505585) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176505585
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)NCc3nncn3C3CCCCC3)cnc21
InChIInChI=1S/C19H25N7O/c1-13(2)25-11-22-16-8-14(9-20-18(16)25)19(27)21-10-17-24-23-12-26(17)15-6-4-3-5-7-15/h8-9,11-13,15H,3-7,10H2,1-2H3,(H,21,27)
InChIKeyLQPUUKDTZWDDGZ-UHFFFAOYSA-N
XLogP3.04
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176505473
3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506847
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-sulfamoylbenzamide
CID 77092303
3-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176500545
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 131951388
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506597
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
CID 169414310
3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175642942
3-cyclopentyl-N-[1-(2-methoxyphenoxy)propan-2-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504062
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 90650095

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide (CID 176505585) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide is CC(C)n1cnc2cc(C(=O)NCc3nncn3C3CCCCC3)cnc21.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is LQPUUKDTZWDDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-13(2)25-11-22-16-8-14(9-20-18(16)25)19(27)21-10-17-24-23-12-26(17)15-6-4-3-5-7-15/h8-9,11-13,15H,3-7,10H2,1-2H3,(H,21,27).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176505585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).