1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide

C24H21ClF6N4O3 — CID 134359978

About 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide

1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 134359978) has the molecular formula C24H21ClF6N4O3 and a molecular weight of 562.90 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134359978
• Molecular Formula: C24H21ClF6N4O3
• Molecular Weight: 562.90 g/mol
• Exact Mass: 562.12
• IUPAC Name: 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C[C@H](O)CN(C)c1nc2c(cc1F)c(=O)c(C(=O)N[C@@H](C1CC1)C(F)(F)F)cn2-c1c(F)cc(F)cc1Cl
• InChI: InChI=1S/C24H21ClF6N4O3/c1-10(36)8-34(2)22-17(28)7-13-19(37)14(23(38)32-20(11-3-4-11)24(29,30)31)9-35(21(13)33-22)18-15(25)5-12(26)6-16(18)27/h5-7,9-11,20,36H,3-4,8H2,1-2H3,(H,32,38)/t10-,20-/m0/s1
• InChIKey: KQBBIIZCCOPCIF-FVINQWEUSA-N
• XLogP: 4.34
• TPSA: 87.46 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	562.90
LogP ≤ 5	4.34
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)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 134359978) is 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide is C[C@H](O)CN(C)c1nc2c(cc1F)c(=O)c(C(=O)N[C@@H](C1CC1)C(F)(F)F)cn2-c1c(F)cc(F)cc1Cl.

What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is KQBBIIZCCOPCIF-FVINQWEUSA-N. The full InChI is InChI=1S/C24H21ClF6N4O3/c1-10(36)8-34(2)22-17(28)7-13-19(37)14(23(38)32-20(11-3-4-11)24(29,30)31)9-35(21(13)33-22)18-15(25)5-12(26)6-16(18)27/h5-7,9-11,20,36H,3-4,8H2,1-2H3,(H,32,38)/t10-,20-/m0/s1.

What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(2-chloro-4,6-difluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 562.90 g/mol, XLogP of 4.34, 7 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)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-fluoro-7-[[(2S)-2-hydroxypropyl]-methylamino]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134359978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).