1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide

C23H20ClF5N4O3 — CID 145203101

About 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide

1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 145203101) has the molecular formula C23H20ClF5N4O3 and a molecular weight of 530.88 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 145203101
• Molecular Formula: C23H20ClF5N4O3
• Molecular Weight: 530.88 g/mol
• Exact Mass: 530.11
• IUPAC Name: 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC1CC(O)CN1c1ccc2c(=O)c(C(=O)NC(C)C(F)(F)F)cn(-c3c(F)cc(F)cc3Cl)c2n1
• InChI: InChI=1S/C23H20ClF5N4O3/c1-10-5-13(34)8-32(10)18-4-3-14-20(35)15(22(36)30-11(2)23(27,28)29)9-33(21(14)31-18)19-16(24)6-12(25)7-17(19)26/h3-4,6-7,9-11,13,34H,5,8H2,1-2H3,(H,30,36)
• InChIKey: WQDUZUHLPPHJEH-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.88
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 145203101) is 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide is CC1CC(O)CN1c1ccc2c(=O)c(C(=O)NC(C)C(F)(F)F)cn(-c3c(F)cc(F)cc3Cl)c2n1.

What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is WQDUZUHLPPHJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF5N4O3/c1-10-5-13(34)8-32(10)18-4-3-14-20(35)15(22(36)30-11(2)23(27,28)29)9-33(21(14)31-18)19-16(24)6-12(25)7-17(19)26/h3-4,6-7,9-11,13,34H,5,8H2,1-2H3,(H,30,36).

What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 530.88 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4,6-difluorophenyl)-7-(4-hydroxy-2-methylpyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 145203101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).