6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H27ClFN5O2 — CID 71009989

About 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71009989) has the molecular formula C28H27ClFN5O2 and a molecular weight of 520.01 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71009989
• Molecular Formula: C28H27ClFN5O2
• Molecular Weight: 520.01 g/mol
• Exact Mass: 519.18
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
• InChI: InChI=1S/C28H27ClFN5O2/c1-2-24-26(35-18-21(29)7-12-25(35)32-24)27(36)31-17-19-3-10-23(11-4-19)33-13-15-34(16-14-33)28(37)20-5-8-22(30)9-6-20/h3-12,18H,2,13-17H2,1H3,(H,31,36)
• InChIKey: JZGYJWCKUBDKMJ-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.01
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71009989) is 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.

What is the InChIKey of 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is JZGYJWCKUBDKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN5O2/c1-2-24-26(35-18-21(29)7-12-25(35)32-24)27(36)31-17-19-3-10-23(11-4-19)33-13-15-34(16-14-33)28(37)20-5-8-22(30)9-6-20/h3-12,18H,2,13-17H2,1H3,(H,31,36).

What are the key properties of 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 520.01 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71009989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).