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

C26H20F5N5O — CID 155674896

IUPAC8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(CC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C26H20F5N5O/c1-35-12-18-11-19(7-8-20(18)34-35)36-13-17-6-9-22(32-14-26(29,30)31)33-24(17)23(25(36)37)16-4-2-15(3-5-16)10-21(27)28/h2-9,11-13,21H,10,14H2,1H3,(H,32,33)
InChIKeyMINMCBASQSHPBM-UHFFFAOYSA-N
MW513.47 g/mol
LogP5.72
Rot. Bonds6

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

8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one (PubChem CID 155674896) has the molecular formula C26H20F5N5O and a molecular weight of 513.47 g/mol. Its IUPAC name is 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
PubChem CID155674896
Molecular FormulaC26H20F5N5O
Molecular Weight513.47 g/mol
Exact Mass513.16
IUPAC Name8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one
SMILESCn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(CC(F)F)cc4)c3=O)ccc2n1
InChIInChI=1S/C26H20F5N5O/c1-35-12-18-11-19(7-8-20(18)34-35)36-13-17-6-9-22(32-14-26(29,30)31)33-24(17)23(25(36)37)16-4-2-15(3-5-16)10-21(27)28/h2-9,11-13,21H,10,14H2,1H3,(H,32,33)
InChIKeyMINMCBASQSHPBM-UHFFFAOYSA-N
XLogP5.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-(trifluoromethyl)phenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
CID 11373846
Dihydropyridone indazole amide 10
CID 11189172
Dihydropyrimidine, 14
CID 11526080
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(6-(trifluoromethyl)pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11569498
2-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11590642
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
CID 11597345
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 11697546
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
CID 25093238
8-(4-Chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-((2,2,2-trifluoroethyl)amino)pyrido[4,3-d]pyrimidin-7(6H)-one
CID 139551841
2-[2-[7-Methyl-3-(1-methylindazol-5-yl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 122192955

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The IUPAC name of 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one (CID 155674896) is 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one is Cn1cc2cc(-n3cc4ccc(NCC(F)(F)F)nc4c(-c4ccc(CC(F)F)cc4)c3=O)ccc2n1.
What is the InChIKey of 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
The InChIKey is MINMCBASQSHPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N5O/c1-35-12-18-11-19(7-8-20(18)34-35)36-13-17-6-9-22(32-14-26(29,30)31)33-24(17)23(25(36)37)16-4-2-15(3-5-16)10-21(27)28/h2-9,11-13,21H,10,14H2,1H3,(H,32,33).
What are the key properties of 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one?
8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one has a molecular weight of 513.47 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,2-difluoroethyl)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethylamino)-1,6-naphthyridin-7-one is sourced from PubChem (CID 155674896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).