N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

C19H25N7O2 — CID 176504000

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2cnc3c(c2)ncn3C2CCOCC2)n1
InChIInChI=1S/C19H25N7O2/c1-13-23-14(2)26(24-13)7-3-6-20-19(27)15-10-17-18(21-11-15)25(12-22-17)16-4-8-28-9-5-16/h10-12,16H,3-9H2,1-2H3,(H,20,27)
InChIKeyUIGHQABNKDYETN-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504000) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504000
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2cnc3c(c2)ncn3C2CCOCC2)n1
InChIInChI=1S/C19H25N7O2/c1-13-23-14(2)26(24-13)7-3-6-20-19(27)15-10-17-18(21-11-15)25(12-22-17)16-4-8-28-9-5-16/h10-12,16H,3-9H2,1-2H3,(H,20,27)
InChIKeyUIGHQABNKDYETN-UHFFFAOYSA-N
XLogP1.81
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501565
3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504449
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
3,5-dichloro-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzamide
CID 72896651
N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644255
3-cyclopentyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506847
3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506597
2-cyclohexyl-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1,3-benzoxazole-6-carboxamide
CID 72859517
N-benzyl-N-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175646445
3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176505473
3-cyclopropyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506052

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176504000) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is Cc1nc(C)n(CCCNC(=O)c2cnc3c(c2)ncn3C2CCOCC2)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is UIGHQABNKDYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-13-23-14(2)26(24-13)7-3-6-20-19(27)15-10-17-18(21-11-15)25(12-22-17)16-4-8-28-9-5-16/h10-12,16H,3-9H2,1-2H3,(H,20,27).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).