6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide

C64H55ClF2N8O4 — CID 123813530

About 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide

6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123813530) has the molecular formula C64H55ClF2N8O4 and a molecular weight of 1073.64 g/mol. Its IUPAC name is 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 123813530
• Molecular Formula: C64H55ClF2N8O4
• Molecular Weight: 1073.64 g/mol
• Exact Mass: 1072.40
• IUPAC Name: 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3ccc(-c4ccccc4)c(C(=O)NCC(C)Cc4cccc(-c5ccc(-c6ccc7nc(-c8ccc(F)cc8)c(C(=O)NC)n7c6)cc5C(=O)NCC(C)C)c4Cl)c3)cn12
• InChI: InChI=1S/C64H55ClF2N8O4/c1-37(2)33-70-62(77)53-32-43(46-21-29-55-73-58(41-16-24-48(67)25-17-41)60(64(79)69-5)75(55)36-46)19-27-50(53)51-13-9-12-44(56(51)65)30-38(3)34-71-61(76)52-31-42(18-26-49(52)39-10-7-6-8-11-39)45-20-28-54-72-57(40-14-22-47(66)23-15-40)59(63(78)68-4)74(54)35-45/h6-29,31-32,35-38H,30,33-34H2,1-5H3,(H,68,78)(H,69,79)(H,70,77)(H,71,76)
• InChIKey: BQKQCUBWHKSBKZ-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 151.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.64
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 123813530) is 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3ccc(-c4ccccc4)c(C(=O)NCC(C)Cc4cccc(-c5ccc(-c6ccc7nc(-c8ccc(F)cc8)c(C(=O)NC)n7c6)cc5C(=O)NCC(C)C)c4Cl)c3)cn12.

What is the InChIKey of 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is BQKQCUBWHKSBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55ClF2N8O4/c1-37(2)33-70-62(77)53-32-43(46-21-29-55-73-58(41-16-24-48(67)25-17-41)60(64(79)69-5)75(55)36-46)19-27-50(53)51-13-9-12-44(56(51)65)30-38(3)34-71-61(76)52-31-42(18-26-49(52)39-10-7-6-8-11-39)45-20-28-54-72-57(40-14-22-47(66)23-15-40)59(63(78)68-4)74(54)35-45/h6-29,31-32,35-38H,30,33-34H2,1-5H3,(H,68,78)(H,69,79)(H,70,77)(H,71,76).

What are the key properties of 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?

6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 1073.64 g/mol, XLogP of 12.63, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[3-[2-chloro-3-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methylpropylcarbamoyl)phenyl]phenyl]-2-methylpropyl]carbamoyl]-4-phenylphenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123813530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).