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

C17H21N7O — CID 70758986

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

2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70758986) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 70758986
• Molecular Formula: C17H21N7O
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.18
• IUPAC Name: 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1c(N)nc2cc(C(=O)N(Cc3nccn3C)C3CC3)cnc21
• InChI: InChI=1S/C17H21N7O/c1-3-23-15-13(21-17(23)18)8-11(9-20-15)16(25)24(12-4-5-12)10-14-19-6-7-22(14)2/h6-9,12H,3-5,10H2,1-2H3,(H2,18,21)
• InChIKey: RYZCTOVVNHKMJA-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 94.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 70758986) is 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)N(Cc3nccn3C)C3CC3)cnc21.

What is the InChIKey of 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is RYZCTOVVNHKMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-23-15-13(21-17(23)18)8-11(9-20-15)16(25)24(12-4-5-12)10-14-19-6-7-22(14)2/h6-9,12H,3-5,10H2,1-2H3,(H2,18,21).

What are the key properties of 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70758986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).