2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C30H34FN4O2P — CID 166657384

About 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 166657384) has the molecular formula C30H34FN4O2P and a molecular weight of 532.60 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 166657384
• Molecular Formula: C30H34FN4O2P
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.24
• IUPAC Name: 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)P)cc3)CC2)cc1
• InChI: InChI=1S/C30H34FN4O2P/c1-3-26-28(35-19-20(2)4-13-27(35)33-26)29(36)32-18-21-5-9-24(10-6-21)34-16-14-23(15-17-34)22-7-11-25(12-8-22)37-30(31)38/h4-13,19,23,30H,3,14-18,38H2,1-2H3,(H,32,36)
• InChIKey: QSASEORKZGZHJX-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	6.03
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 166657384) is 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(C)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)P)cc3)CC2)cc1.

What is the InChIKey of 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is QSASEORKZGZHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN4O2P/c1-3-26-28(35-19-20(2)4-13-27(35)33-26)29(36)32-18-21-5-9-24(10-6-21)34-16-14-23(15-17-34)22-7-11-25(12-8-22)37-30(31)38/h4-13,19,23,30H,3,14-18,38H2,1-2H3,(H,32,36).

What are the key properties of 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?

2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 166657384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).