2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen

C123H114F3N19O5S — CID 161382282

IUPAC2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen
SMILESCc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1ccc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3cccs3)ccc12.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H18F3N3O.C26H27N5O.C25H25N5O.C24H17N3OS.C21H17N3O.5H2/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;1-19-17-23(30-15-13-29(2)14-16-30)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;28-21-16-23(25-17-8-3-1-4-9-17)27(18-10-5-2-6-11-18)24-19(21)13-14-20(26-24)22-12-7-15-29-22;1-15-12-13-18-19(25)14-20(23-16-8-4-2-5-9-16)24(21(18)22-15)17-10-6-3-7-11-17;;;;;/h1-17,31H;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;1-16,25H;2-14,23H,1H3;5*1H
InChIKeyVRWKZPZHOUDXGW-UHFFFAOYSA-N
MW2027.45 g/mol
LogP26.38
Rot. Bonds19

About 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen

2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen (PubChem CID 161382282) has the molecular formula C123H114F3N19O5S and a molecular weight of 2027.45 g/mol. Its IUPAC name is 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen.

Molecular Properties

Compound Name2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen
PubChem CID161382282
Molecular FormulaC123H114F3N19O5S
Molecular Weight2027.45 g/mol
Exact Mass2025.89
IUPAC Name2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen
SMILESCc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1ccc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3cccs3)ccc12.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H18F3N3O.C26H27N5O.C25H25N5O.C24H17N3OS.C21H17N3O.5H2/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;1-19-17-23(30-15-13-29(2)14-16-30)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;28-21-16-23(25-17-8-3-1-4-9-17)27(18-10-5-2-6-11-18)24-19(21)13-14-20(26-24)22-12-7-15-29-22;1-15-12-13-18-19(25)14-20(23-16-8-4-2-5-9-16)24(21(18)22-15)17-10-6-3-7-11-17;;;;;/h1-17,31H;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;1-16,25H;2-14,23H,1H3;5*1H
InChIKeyVRWKZPZHOUDXGW-UHFFFAOYSA-N
XLogP26.38
TPSA256.35 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002027.45
LogP ≤ 526.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen with MolForge

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Related Compounds

2-Anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10115683
7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;molecular hydrogen
CID 157364799
2-Anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 157463893
7-acetyl-2-anilino-5-methyl-1-phenyl-1,8-naphthyridin-4-one;7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-5-methyl-1-phenyl-7-(thiophene-2-carbonyl)-1,8-naphthyridin-4-one;N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide
CID 157716233
7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;7-anilino-N,N-diethyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;7-anilino-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-methylacetamide
CID 157891022
(2-Amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 158103359
2-Anilino-6,7-dimethyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;molecular hydrogen
CID 158160081
2-Anilino-5-ethyl-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)propanoic acid;2-anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5,6,7-trimethyl-1-phenyl-1,8-naphthyridin-4-one
CID 158456869
7-(3-Acetylphenyl)-2-anilino-1-phenyl-2,3-dihydro-1,8-naphthyridin-4-one;2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;methane;molecular hydrogen
CID 160571716
2-Anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one
CID 161425365
2-Anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one
CID 161744283
2-Anilino-7-methyl-6-(3-oxo-3-thiophen-3-ylpropyl)-1-phenyl-1,8-naphthyridin-4-one
CID 20790847

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen?
The IUPAC name of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen (CID 161382282) is 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen.
What is the SMILES notation for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen?
The canonical SMILES for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen is Cc1cc(N2CCN(C)CC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1cc(N2CCNCC2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.Cc1ccc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(-c3cccs3)ccc12.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen?
The InChIKey is VRWKZPZHOUDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O.C26H27N5O.C25H25N5O.C24H17N3OS.C21H17N3O.5H2/c28-27(29,30)21-16-22(18-10-4-1-5-11-18)32-26-25(21)23(34)17-24(31-19-12-6-2-7-13-19)33(26)20-14-8-3-9-15-20;1-19-17-23(30-15-13-29(2)14-16-30)28-26-25(19)22(32)18-24(27-20-9-5-3-6-10-20)31(26)21-11-7-4-8-12-21;1-18-16-22(29-14-12-26-13-15-29)28-25-24(18)21(31)17-23(27-19-8-4-2-5-9-19)30(25)20-10-6-3-7-11-20;28-21-16-23(25-17-8-3-1-4-9-17)27(18-10-5-2-6-11-18)24-19(21)13-14-20(26-24)22-12-7-15-29-22;1-15-12-13-18-19(25)14-20(23-16-8-4-2-5-9-16)24(21(18)22-15)17-10-6-3-7-11-17;;;;;/h1-17,31H;3-12,17-18,27H,13-16H2,1-2H3;2-11,16-17,26-27H,12-15H2,1H3;1-16,25H;2-14,23H,1H3;5*1H.
What are the key properties of 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen?
2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen has a molecular weight of 2027.45 g/mol, XLogP of 26.38, 19 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-5-methyl-7-(4-methylpiperazin-1-yl)-1-phenyl-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-1,8-naphthyridin-4-one;2-anilino-5-methyl-1-phenyl-7-piperazin-1-yl-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-thiophen-2-yl-1,8-naphthyridin-4-one;molecular hydrogen is sourced from PubChem (CID 161382282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).