N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide

C28H23ClN6O — CID 68609780

About N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide

N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide (PubChem CID 68609780) has the molecular formula C28H23ClN6O and a molecular weight of 494.99 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide
• PubChem CID: 68609780
• Molecular Formula: C28H23ClN6O
• Molecular Weight: 494.99 g/mol
• Exact Mass: 494.16
• IUPAC Name: N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide
• SMILES: Cc1nc2ccc(Cl)cn2c1-c1ccnc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1
• InChI: InChI=1S/C28H23ClN6O/c1-17-25(35-16-20(29)10-11-24(35)32-17)23-12-15-31-27(34-23)28(13-14-28)19-8-6-18(7-9-19)26(36)33-22-5-3-2-4-21(22)30/h2-12,15-16H,13-14,30H2,1H3,(H,33,36)
• InChIKey: CVUSGVRCHFUVBS-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.99
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide (CID 68609780) is N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide is Cc1nc2ccc(Cl)cn2c1-c1ccnc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1.

What is the InChIKey of N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide?

The InChIKey is CVUSGVRCHFUVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN6O/c1-17-25(35-16-20(29)10-11-24(35)32-17)23-12-15-31-27(34-23)28(13-14-28)19-8-6-18(7-9-19)26(36)33-22-5-3-2-4-21(22)30/h2-12,15-16H,13-14,30H2,1H3,(H,33,36).

What are the key properties of N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide?

N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide has a molecular weight of 494.99 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 68609780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).