5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide

C35H26ClF5N6O4S — CID 157191046

IUPAC5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cnc2cncc(-c3ccc(Cl)cc3F)c2c1.O=C(NCC(F)(F)F)c1cnc2cncc(-c3ccccc3F)c2c1
InChIInChI=1S/C18H15ClFN3O3S.C17H11F4N3O/c1-27(25,26)5-4-22-18(24)11-6-14-15(9-21-10-17(14)23-8-11)13-3-2-12(19)7-16(13)20;18-14-4-2-1-3-11(14)13-7-22-8-15-12(13)5-10(6-23-15)16(25)24-9-17(19,20)21/h2-3,6-10H,4-5H2,1H3,(H,22,24);1-8H,9H2,(H,24,25)
InChIKeyAPRUAPSIJAMGDL-UHFFFAOYSA-N
MW757.14 g/mol
LogP6.59
Rot. Bonds8

About 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide

5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide (PubChem CID 157191046) has the molecular formula C35H26ClF5N6O4S and a molecular weight of 757.14 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide
PubChem CID157191046
Molecular FormulaC35H26ClF5N6O4S
Molecular Weight757.14 g/mol
Exact Mass756.13
IUPAC Name5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cnc2cncc(-c3ccc(Cl)cc3F)c2c1.O=C(NCC(F)(F)F)c1cnc2cncc(-c3ccccc3F)c2c1
InChIInChI=1S/C18H15ClFN3O3S.C17H11F4N3O/c1-27(25,26)5-4-22-18(24)11-6-14-15(9-21-10-17(14)23-8-11)13-3-2-12(19)7-16(13)20;18-14-4-2-1-3-11(14)13-7-22-8-15-12(13)5-10(6-23-15)16(25)24-9-17(19,20)21/h2-3,6-10H,4-5H2,1H3,(H,22,24);1-8H,9H2,(H,24,25)
InChIKeyAPRUAPSIJAMGDL-UHFFFAOYSA-N
XLogP6.59
TPSA143.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.14
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide (CID 157191046) is 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide is CS(=O)(=O)CCNC(=O)c1cnc2cncc(-c3ccc(Cl)cc3F)c2c1.O=C(NCC(F)(F)F)c1cnc2cncc(-c3ccccc3F)c2c1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide?
The InChIKey is APRUAPSIJAMGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S.C17H11F4N3O/c1-27(25,26)5-4-22-18(24)11-6-14-15(9-21-10-17(14)23-8-11)13-3-2-12(19)7-16(13)20;18-14-4-2-1-3-11(14)13-7-22-8-15-12(13)5-10(6-23-15)16(25)24-9-17(19,20)21/h2-3,6-10H,4-5H2,1H3,(H,22,24);1-8H,9H2,(H,24,25).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide?
5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide has a molecular weight of 757.14 g/mol, XLogP of 6.59, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-N-(2-methylsulfonylethyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 157191046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).