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

C26H23F3N4O — CID 10298500

IUPAC2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H23F3N4O/c27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2
InChIKeyJMKHZYDPEAQNTF-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.14
Rot. Bonds4

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

2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10298500) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10298500
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H23F3N4O/c27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2
InChIKeyJMKHZYDPEAQNTF-UHFFFAOYSA-N
XLogP6.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10298500) is 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCCCC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is JMKHZYDPEAQNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c27-26(28,29)20-16-22(32-14-8-3-9-15-32)31-25-24(20)21(34)17-23(30-18-10-4-1-5-11-18)33(25)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17,30H,3,8-9,14-15H2.
What are the key properties of 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 464.49 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-piperidin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10298500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).