(3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C27H29F6N5O2 — CID 169077610

About (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 169077610) has the molecular formula C27H29F6N5O2 and a molecular weight of 569.55 g/mol. Its IUPAC name is (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 169077610
• Molecular Formula: C27H29F6N5O2
• Molecular Weight: 569.55 g/mol
• Exact Mass: 569.22
• IUPAC Name: (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)c2nc(CC(F)F)cn2c1
• InChI: InChI=1S/C27H29F6N5O2/c1-16-8-21(28)22(35-26(39)37-3-2-17(13-37)12-27(31,32)33)11-20(16)18-9-23(36-4-6-40-7-5-36)25-34-19(10-24(29)30)15-38(25)14-18/h8-9,11,14-15,17,24H,2-7,10,12-13H2,1H3,(H,35,39)/t17-/m0/s1
• InChIKey: HDWWVOBLGWIXJA-KRWDZBQOSA-N
• XLogP: 5.90
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.55
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 169077610) is (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1cc(F)c(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)c2nc(CC(F)F)cn2c1.

What is the InChIKey of (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is HDWWVOBLGWIXJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H29F6N5O2/c1-16-8-21(28)22(35-26(39)37-3-2-17(13-37)12-27(31,32)33)11-20(16)18-9-23(36-4-6-40-7-5-36)25-34-19(10-24(29)30)15-38(25)14-18/h8-9,11,14-15,17,24H,2-7,10,12-13H2,1H3,(H,35,39)/t17-/m0/s1.

What are the key properties of (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

(3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 569.55 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[5-[2-(2,2-difluoroethyl)-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl]-2-fluoro-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 169077610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).