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

C25H22F3N5O — CID 10161980

IUPAC2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCNCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H22F3N5O/c26-25(27,28)19-15-21(32-13-11-29-12-14-32)31-24-23(19)20(34)16-22(30-17-7-3-1-4-8-17)33(24)18-9-5-2-6-10-18/h1-10,15-16,29-30H,11-14H2
InChIKeyUYUPCWPWXXXEDL-UHFFFAOYSA-N
MW465.48 g/mol
LogP4.56
Rot. Bonds4

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

2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10161980) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10161980
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCNCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H22F3N5O/c26-25(27,28)19-15-21(32-13-11-29-12-14-32)31-24-23(19)20(34)16-22(30-17-7-3-1-4-8-17)33(24)18-9-5-2-6-10-18/h1-10,15-16,29-30H,11-14H2
InChIKeyUYUPCWPWXXXEDL-UHFFFAOYSA-N
XLogP4.56
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10161980) is 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCNCC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is UYUPCWPWXXXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c26-25(27,28)19-15-21(32-13-11-29-12-14-32)31-24-23(19)20(34)16-22(30-17-7-3-1-4-8-17)33(24)18-9-5-2-6-10-18/h1-10,15-16,29-30H,11-14H2.
What are the key properties of 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 465.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10161980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).