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

C26H21ClF2N4O3 — CID 169319052

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

4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319052) has the molecular formula C26H21ClF2N4O3 and a molecular weight of 510.93 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide
• PubChem CID: 169319052
• Molecular Formula: C26H21ClF2N4O3
• Molecular Weight: 510.93 g/mol
• Exact Mass: 510.13
• IUPAC Name: 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide
• SMILES: COc1cc(F)c([C@@H]2CN(c3cc(C)cn4ccnc34)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1
• InChI: InChI=1S/C26H21ClF2N4O3/c1-14-9-21(24-30-7-8-32(24)12-14)33-13-18(22-19(28)10-17(36-2)11-20(22)29)23(26(33)35)31-25(34)15-3-5-16(27)6-4-15/h3-12,18,23H,13H2,1-2H3,(H,31,34)/t18-,23-/m0/s1
• InChIKey: WITUGALNDALVDE-MBSDFSHPSA-N
• XLogP: 4.51
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.93
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide (CID 169319052) is 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide.

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

The canonical SMILES for 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide is COc1cc(F)c([C@@H]2CN(c3cc(C)cn4ccnc34)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1.

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

The InChIKey is WITUGALNDALVDE-MBSDFSHPSA-N. The full InChI is InChI=1S/C26H21ClF2N4O3/c1-14-9-21(24-30-7-8-32(24)12-14)33-13-18(22-19(28)10-17(36-2)11-20(22)29)23(26(33)35)31-25(34)15-3-5-16(27)6-4-15/h3-12,18,23H,13H2,1-2H3,(H,31,34)/t18-,23-/m0/s1.

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

4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 510.93 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6-methylimidazo[1,2-a]pyridin-8-yl)-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).