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

C26H24F3N5O — CID 10116626

IUPAC2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCN1CCN(c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C26H24F3N5O/c1-32-12-14-33(15-13-32)22-16-20(26(27,28)29)24-21(35)17-23(30-18-8-4-2-5-9-18)34(25(24)31-22)19-10-6-3-7-11-19/h2-11,16-17,30H,12-15H2,1H3
InChIKeyFHAUACCRVCEMCD-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.90
Rot. Bonds4

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

2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10116626) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10116626
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCN1CCN(c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C26H24F3N5O/c1-32-12-14-33(15-13-32)22-16-20(26(27,28)29)24-21(35)17-23(30-18-8-4-2-5-9-18)34(25(24)31-22)19-10-6-3-7-11-19/h2-11,16-17,30H,12-15H2,1H3
InChIKeyFHAUACCRVCEMCD-UHFFFAOYSA-N
XLogP4.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10116626) is 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CN1CCN(c2cc(C(F)(F)F)c3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c3n2)CC1.
What is the InChIKey of 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is FHAUACCRVCEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c1-32-12-14-33(15-13-32)22-16-20(26(27,28)29)24-21(35)17-23(30-18-8-4-2-5-9-18)34(25(24)31-22)19-10-6-3-7-11-19/h2-11,16-17,30H,12-15H2,1H3.
What are the key properties of 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 479.51 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10116626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).