N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide

C24H22F2N6O3 — CID 154976237

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide (PubChem CID 154976237) has the molecular formula C24H22F2N6O3 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide
• PubChem CID: 154976237
• Molecular Formula: C24H22F2N6O3
• Molecular Weight: 480.48 g/mol
• Exact Mass: 480.17
• IUPAC Name: N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide
• SMILES: CCOc1ccn2cc(/C=C/c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)nc2c1
• InChI: InChI=1S/C24H22F2N6O3/c1-2-35-19-6-8-31-14-17(30-21(31)9-19)4-3-16-12-28-7-5-20(16)23(34)29-13-22(33)32-15-24(25,26)10-18(32)11-27/h3-9,12,14,18H,2,10,13,15H2,1H3,(H,29,34)/b4-3+
• InChIKey: JUBQOUGHGGVWQG-ONEGZZNKSA-N
• XLogP: 2.79
• TPSA: 112.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.48
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?

The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide (CID 154976237) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?

The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide is CCOc1ccn2cc(/C=C/c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)nc2c1.

What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?

The InChIKey is JUBQOUGHGGVWQG-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H22F2N6O3/c1-2-35-19-6-8-31-14-17(30-21(31)9-19)4-3-16-12-28-7-5-20(16)23(34)29-13-22(33)32-15-24(25,26)10-18(32)11-27/h3-9,12,14,18H,2,10,13,15H2,1H3,(H,29,34)/b4-3+.

What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide?

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-(7-ethoxyimidazo[1,2-a]pyridin-2-yl)ethenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154976237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).