6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one

C25H17F6N5O — CID 139551889

IUPAC6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(C(F)(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C25H17F6N5O/c1-35-11-16-10-18(7-8-19(16)34-35)36-12-15-4-9-20(32-13-24(26,27)28)33-22(15)21(23(36)37)14-2-5-17(6-3-14)25(29,30)31/h2-12H,13H2,1H3,(H,32,33)
InChIKeyLUFHCSNFPLMWLU-UHFFFAOYSA-N
MW517.43 g/mol
LogP5.93
Rot. Bonds4

About 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one

6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one (PubChem CID 139551889) has the molecular formula C25H17F6N5O and a molecular weight of 517.43 g/mol. Its IUPAC name is 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one
PubChem CID139551889
Molecular FormulaC25H17F6N5O
Molecular Weight517.43 g/mol
Exact Mass517.13
IUPAC Name6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(C(F)(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C25H17F6N5O/c1-35-11-16-10-18(7-8-19(16)34-35)36-12-15-4-9-20(32-13-24(26,27)28)33-22(15)21(23(36)37)14-2-5-17(6-3-14)25(29,30)31/h2-12H,13H2,1H3,(H,32,33)
InChIKeyLUFHCSNFPLMWLU-UHFFFAOYSA-N
XLogP5.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.43
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one?
The IUPAC name of 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one (CID 139551889) is 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one.
What is the SMILES notation for 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one?
The canonical SMILES for 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one is Cn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(C(F)(F)F)cc4)c3=O)ccc2n1.
What is the InChIKey of 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one?
The InChIKey is LUFHCSNFPLMWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F6N5O/c1-35-11-16-10-18(7-8-19(16)34-35)36-12-15-4-9-20(32-13-24(26,27)28)33-22(15)21(23(36)37)14-2-5-17(6-3-14)25(29,30)31/h2-12H,13H2,1H3,(H,32,33).
What are the key properties of 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one?
6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one has a molecular weight of 517.43 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-7-one is sourced from PubChem (CID 139551889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).