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

C17H22N6O — CID 68938854

IUPAC2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCC1=CNCN1CCCNC(=O)c1ccnc2nc(C3CC3)[nH]c12
InChIInChI=1S/C17H22N6O/c1-11-9-18-10-23(11)8-2-6-20-17(24)13-5-7-19-16-14(13)21-15(22-16)12-3-4-12/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyRWHKXXXTYWWEEK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds6

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

2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 68938854) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID68938854
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCC1=CNCN1CCCNC(=O)c1ccnc2nc(C3CC3)[nH]c12
InChIInChI=1S/C17H22N6O/c1-11-9-18-10-23(11)8-2-6-20-17(24)13-5-7-19-16-14(13)21-15(22-16)12-3-4-12/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyRWHKXXXTYWWEEK-UHFFFAOYSA-N
XLogP1.68
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 68938854) is 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is CC1=CNCN1CCCNC(=O)c1ccnc2nc(C3CC3)[nH]c12.
What is the InChIKey of 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is RWHKXXXTYWWEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-9-18-10-23(11)8-2-6-20-17(24)13-5-7-19-16-14(13)21-15(22-16)12-3-4-12/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 68938854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).