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

C20H13ClF5N3O2 — CID 135354811

IUPAC7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C20H13ClF5N3O2/c21-14-7-6-10-16(30)11(19(31)28-17(9-4-5-9)20(24,25)26)8-29(18(10)27-14)15-12(22)2-1-3-13(15)23/h1-3,6-9,17H,4-5H2,(H,28,31)/t17-/m1/s1
InChIKeyLRAGZARGKKAZMZ-QGZVFWFLSA-N
MW457.79 g/mol
LogP4.39
Rot. Bonds4

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

7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 135354811) has the molecular formula C20H13ClF5N3O2 and a molecular weight of 457.79 g/mol. Its IUPAC name is 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID135354811
Molecular FormulaC20H13ClF5N3O2
Molecular Weight457.79 g/mol
Exact Mass457.06
IUPAC Name7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C20H13ClF5N3O2/c21-14-7-6-10-16(30)11(19(31)28-17(9-4-5-9)20(24,25)26)8-29(18(10)27-14)15-12(22)2-1-3-13(15)23/h1-3,6-9,17H,4-5H2,(H,28,31)/t17-/m1/s1
InChIKeyLRAGZARGKKAZMZ-QGZVFWFLSA-N
XLogP4.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 135354811) is 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2c(F)cccc2F)c2nc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LRAGZARGKKAZMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H13ClF5N3O2/c21-14-7-6-10-16(30)11(19(31)28-17(9-4-5-9)20(24,25)26)8-29(18(10)27-14)15-12(22)2-1-3-13(15)23/h1-3,6-9,17H,4-5H2,(H,28,31)/t17-/m1/s1.
What are the key properties of 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 457.79 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).