4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide

C27H23ClF2N4O4 — CID 162437554

About 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide

4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 162437554) has the molecular formula C27H23ClF2N4O4 and a molecular weight of 540.95 g/mol. Its IUPAC name is 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide
• PubChem CID: 162437554
• Molecular Formula: C27H23ClF2N4O4
• Molecular Weight: 540.95 g/mol
• Exact Mass: 540.14
• IUPAC Name: 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide
• SMILES: COc1cc(F)c([C@@H]2CN(c3cccn4cc(CO)nc34)C(=O)C2CNC(=O)c2ccc(Cl)cc2)c(F)c1
• InChI: InChI=1S/C27H23ClF2N4O4/c1-38-18-9-21(29)24(22(30)10-18)20-13-34(23-3-2-8-33-12-17(14-35)32-25(23)33)27(37)19(20)11-31-26(36)15-4-6-16(28)7-5-15/h2-10,12,19-20,35H,11,13-14H2,1H3,(H,31,36)/t19?,20-/m1/s1
• InChIKey: FAGWKGRYNTWFKS-GFOWMXPYSA-N
• XLogP: 3.94
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.95
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide?

The IUPAC name of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide (CID 162437554) is 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide.

What is the SMILES notation for 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide?

The canonical SMILES for 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide is COc1cc(F)c([C@@H]2CN(c3cccn4cc(CO)nc34)C(=O)C2CNC(=O)c2ccc(Cl)cc2)c(F)c1.

What is the InChIKey of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide?

The InChIKey is FAGWKGRYNTWFKS-GFOWMXPYSA-N. The full InChI is InChI=1S/C27H23ClF2N4O4/c1-38-18-9-21(29)24(22(30)10-18)20-13-34(23-3-2-8-33-12-17(14-35)32-25(23)33)27(37)19(20)11-31-26(36)15-4-6-16(28)7-5-15/h2-10,12,19-20,35H,11,13-14H2,1H3,(H,31,36)/t19?,20-/m1/s1.

What are the key properties of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide?

4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 540.95 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 162437554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).