2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C31H26F3N5O — CID 20790489

IUPAC2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C31H26F3N5O/c32-31(33,34)25-20-27(38-18-16-37(17-19-38)23-12-6-2-7-13-23)36-30-29(25)26(40)21-28(35-22-10-4-1-5-11-22)39(30)24-14-8-3-9-15-24/h1-15,20-21,35H,16-19H2
InChIKeyCUXCTEDVGLFVFI-UHFFFAOYSA-N
MW541.58 g/mol
LogP6.47
Rot. Bonds5

About 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790489) has the molecular formula C31H26F3N5O and a molecular weight of 541.58 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790489
Molecular FormulaC31H26F3N5O
Molecular Weight541.58 g/mol
Exact Mass541.21
IUPAC Name2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C31H26F3N5O/c32-31(33,34)25-20-27(38-18-16-37(17-19-38)23-12-6-2-7-13-23)36-30-29(25)26(40)21-28(35-22-10-4-1-5-11-22)39(30)24-14-8-3-9-15-24/h1-15,20-21,35H,16-19H2
InChIKeyCUXCTEDVGLFVFI-UHFFFAOYSA-N
XLogP6.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.58
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(4,4-difluoro-piperidin-1-yl)-phenylamino]-nicotinamide
CID 118038416
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-3,4-dihydro-2H-2,7-naphthyridin-1-one
CID 123328993
3-Acyl-2,6-diaminopyridine deriv. 2a
CID 5330815
3-Acyl-2,6-diaminopyridine deriv. 2f
CID 5330820
3-Acyl-2,6-diaminopyridine deriv. 2h
CID 5330822
2-(4-Phenyl-piperazin-1-yl)-N-(3-trifluoromethyl-phenyl)-nicotinamide
CID 9549489
2-Phenyl-7-piperidin-1-yl-[1,8]naphthyridin-4-ol
CID 11289724
7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 11415926
N-[3,5-Bis(trifluoromethyl)benzyl]-2-methyl-6-(4-methylpiperazin-1-yl)-4-phenylnicotinamide
CID 54585202
6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-2H-2,7-naphthyridin-1-one
CID 155560050

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790489) is 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is CUXCTEDVGLFVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N5O/c32-31(33,34)25-20-27(38-18-16-37(17-19-38)23-12-6-2-7-13-23)36-30-29(25)26(40)21-28(35-22-10-4-1-5-11-22)39(30)24-14-8-3-9-15-24/h1-15,20-21,35H,16-19H2.
What are the key properties of 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 541.58 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-(4-phenylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).