6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C30H32ClF2N5O2 — CID 163202192

About 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163202192) has the molecular formula C30H32ClF2N5O2 and a molecular weight of 568.07 g/mol. Its IUPAC name is 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 163202192
• Molecular Formula: C30H32ClF2N5O2
• Molecular Weight: 568.07 g/mol
• Exact Mass: 567.22
• IUPAC Name: 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCOc1ccc(N2CCN(c3ccc(CNC(=O)c4c(CC)nc5ccc(Cl)cn45)cc3F)C[C@@H]2C)cc1F
• InChI: InChI=1S/C30H32ClF2N5O2/c1-4-25-29(38-18-21(31)7-11-28(38)35-25)30(39)34-16-20-6-9-26(23(32)14-20)36-12-13-37(19(3)17-36)22-8-10-27(40-5-2)24(33)15-22/h6-11,14-15,18-19H,4-5,12-13,16-17H2,1-3H3,(H,34,39)/t19-/m0/s1
• InChIKey: OPNGPMRIUXELML-IBGZPJMESA-N
• XLogP: 5.87
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.07
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 163202192) is 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCOc1ccc(N2CCN(c3ccc(CNC(=O)c4c(CC)nc5ccc(Cl)cn45)cc3F)C[C@@H]2C)cc1F.

What is the InChIKey of 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is OPNGPMRIUXELML-IBGZPJMESA-N. The full InChI is InChI=1S/C30H32ClF2N5O2/c1-4-25-29(38-18-21(31)7-11-28(38)35-25)30(39)34-16-20-6-9-26(23(32)14-20)36-12-13-37(19(3)17-36)22-8-10-27(40-5-2)24(33)15-22/h6-11,14-15,18-19H,4-5,12-13,16-17H2,1-3H3,(H,34,39)/t19-/m0/s1.

What are the key properties of 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 568.07 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[4-[(3S)-4-(4-ethoxy-3-fluorophenyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163202192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).