2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C26H21F3N4O2 — CID 20790656

IUPAC2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=C1CCCN1Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)20-14-18(16-32-13-7-12-23(32)35)31-25-24(20)21(34)15-22(30-17-8-3-1-4-9-17)33(25)19-10-5-2-6-11-19/h1-6,8-11,14-15,30H,7,12-13,16H2
InChIKeyWAGYYBJPZGGUMI-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.27
Rot. Bonds5

About 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790656) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790656
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC Name2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=C1CCCN1Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)20-14-18(16-32-13-7-12-23(32)35)31-25-24(20)21(34)15-22(30-17-8-3-1-4-9-17)33(25)19-10-5-2-6-11-19/h1-6,8-11,14-15,30H,7,12-13,16H2
InChIKeyWAGYYBJPZGGUMI-UHFFFAOYSA-N
XLogP5.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790656) is 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=C1CCCN1Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is WAGYYBJPZGGUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-26(28,29)20-14-18(16-32-13-7-12-23(32)35)31-25-24(20)21(34)15-22(30-17-8-3-1-4-9-17)33(25)19-10-5-2-6-11-19/h1-6,8-11,14-15,30H,7,12-13,16H2.
What are the key properties of 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 478.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).