(3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide

C29H23ClF5N5O4 — CID 164911214

About (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide

(3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164911214) has the molecular formula C29H23ClF5N5O4 and a molecular weight of 635.98 g/mol. Its IUPAC name is (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 164911214
• Molecular Formula: C29H23ClF5N5O4
• Molecular Weight: 635.98 g/mol
• Exact Mass: 635.14
• IUPAC Name: (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: NC(=O)[C@@]1(CF)COc2c1cc([C@@](O)(CNC(=O)c1cc(Cl)c3nc(C4CC4)cn3c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C29H23ClF5N5O4/c30-19-7-16(9-40-10-20(14-1-2-14)38-24(19)40)25(41)37-12-28(43,29(33,34)35)21-8-18-23(44-13-27(18,11-31)26(36)42)22(39-21)15-3-5-17(32)6-4-15/h3-10,14,43H,1-2,11-13H2,(H2,36,42)(H,37,41)/t27-,28-/m0/s1
• InChIKey: QXTLYBRPJAXPRO-NSOVKSMOSA-N
• XLogP: 4.33
• TPSA: 131.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.98
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164911214) is (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide is NC(=O)[C@@]1(CF)COc2c1cc([C@@](O)(CNC(=O)c1cc(Cl)c3nc(C4CC4)cn3c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is QXTLYBRPJAXPRO-NSOVKSMOSA-N. The full InChI is InChI=1S/C29H23ClF5N5O4/c30-19-7-16(9-40-10-20(14-1-2-14)38-24(19)40)25(41)37-12-28(43,29(33,34)35)21-8-18-23(44-13-27(18,11-31)26(36)42)22(39-21)15-3-5-17(32)6-4-15/h3-10,14,43H,1-2,11-13H2,(H2,36,42)(H,37,41)/t27-,28-/m0/s1.

What are the key properties of (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?

(3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 635.98 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-5-[(2S)-3-[(8-chloro-2-cyclopropylimidazo[1,2-a]pyridine-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164911214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).