N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

C23H22N6O — CID 70690441

IUPACN-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCc1ccncc1NC(=O)c1ccnc2nc(N3CCC(c4ccccc4)C3)[nH]c12
InChIInChI=1S/C23H22N6O/c1-15-7-10-24-13-19(15)26-22(30)18-8-11-25-21-20(18)27-23(28-21)29-12-9-17(14-29)16-5-3-2-4-6-16/h2-8,10-11,13,17H,9,12,14H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyQQYKOWGBNFEJPJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.91
Rot. Bonds4

About N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 70690441) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID70690441
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCc1ccncc1NC(=O)c1ccnc2nc(N3CCC(c4ccccc4)C3)[nH]c12
InChIInChI=1S/C23H22N6O/c1-15-7-10-24-13-19(15)26-22(30)18-8-11-25-21-20(18)27-23(28-21)29-12-9-17(14-29)16-5-3-2-4-6-16/h2-8,10-11,13,17H,9,12,14H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyQQYKOWGBNFEJPJ-UHFFFAOYSA-N
XLogP3.91
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 70690441) is N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is Cc1ccncc1NC(=O)c1ccnc2nc(N3CCC(c4ccccc4)C3)[nH]c12.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is QQYKOWGBNFEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-15-7-10-24-13-19(15)26-22(30)18-8-11-25-21-20(18)27-23(28-21)29-12-9-17(14-29)16-5-3-2-4-6-16/h2-8,10-11,13,17H,9,12,14H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-2-(3-phenylpyrrolidin-1-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 70690441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).