N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide

C31H26N6O2 — CID 170036674

About N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide

N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide (PubChem CID 170036674) has the molecular formula C31H26N6O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide
• PubChem CID: 170036674
• Molecular Formula: C31H26N6O2
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.21
• IUPAC Name: N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide
• SMILES: O=C(NC1C2CN(C(=O)c3cccc(Nc4ccccc4)n3)CC21)c1cccc(-c2cn3ccccc3n2)c1
• InChI: InChI=1S/C31H26N6O2/c38-30(21-9-6-8-20(16-21)26-19-36-15-5-4-14-28(36)34-26)35-29-23-17-37(18-24(23)29)31(39)25-12-7-13-27(33-25)32-22-10-2-1-3-11-22/h1-16,19,23-24,29H,17-18H2,(H,32,33)(H,35,38)
• InChIKey: DPLYNGFXOKDBBZ-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 91.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide?

The IUPAC name of N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide (CID 170036674) is N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide.

What is the SMILES notation for N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide?

The canonical SMILES for N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide is O=C(NC1C2CN(C(=O)c3cccc(Nc4ccccc4)n3)CC21)c1cccc(-c2cn3ccccc3n2)c1.

What is the InChIKey of N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide?

The InChIKey is DPLYNGFXOKDBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O2/c38-30(21-9-6-8-20(16-21)26-19-36-15-5-4-14-28(36)34-26)35-29-23-17-37(18-24(23)29)31(39)25-12-7-13-27(33-25)32-22-10-2-1-3-11-22/h1-16,19,23-24,29H,17-18H2,(H,32,33)(H,35,38).

What are the key properties of N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide?

N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide has a molecular weight of 514.59 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-anilinopyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-3-imidazo[1,2-a]pyridin-2-ylbenzamide is sourced from PubChem (CID 170036674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).