3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide

C17H21N7O — CID 176506597

IUPAC3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1ncnc1CCNC(=O)c1cnc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C17H21N7O/c1-23-15(20-10-22-23)6-7-18-17(25)12-8-14-16(19-9-12)24(11-21-14)13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,18,25)
InChIKeyYORZNQJXJCFUEQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.65
Rot. Bonds5

About 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506597) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506597
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1ncnc1CCNC(=O)c1cnc2c(c1)ncn2C1CCCC1
InChIInChI=1S/C17H21N7O/c1-23-15(20-10-22-23)6-7-18-17(25)12-8-14-16(19-9-12)24(11-21-14)13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,18,25)
InChIKeyYORZNQJXJCFUEQ-UHFFFAOYSA-N
XLogP1.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176506597) is 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1ncnc1CCNC(=O)c1cnc2c(c1)ncn2C1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YORZNQJXJCFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-23-15(20-10-22-23)6-7-18-17(25)12-8-14-16(19-9-12)24(11-21-14)13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,18,25).
What are the key properties of 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).