2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one

C25H25N5O3S — CID 20790890

IUPAC2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
SMILESCS(=O)(=O)N1CCN(c2cncc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c23)CC1
InChIInChI=1S/C25H25N5O3S/c1-34(32,33)29-14-12-28(13-15-29)22-18-26-17-21-23(31)16-24(27-19-8-4-2-5-9-19)30(25(21)22)20-10-6-3-7-11-20/h2-11,16-18,27H,12-15H2,1H3
InChIKeyNQXZLDIIVCMGIV-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.21
Rot. Bonds5

About 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one

2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790890) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790890
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
SMILESCS(=O)(=O)N1CCN(c2cncc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c23)CC1
InChIInChI=1S/C25H25N5O3S/c1-34(32,33)29-14-12-28(13-15-29)22-18-26-17-21-23(31)16-24(27-19-8-4-2-5-9-19)30(25(21)22)20-10-6-3-7-11-20/h2-11,16-18,27H,12-15H2,1H3
InChIKeyNQXZLDIIVCMGIV-UHFFFAOYSA-N
XLogP3.21
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one (CID 20790890) is 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one is CS(=O)(=O)N1CCN(c2cncc3c(=O)cc(Nc4ccccc4)n(-c4ccccc4)c23)CC1.
What is the InChIKey of 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is NQXZLDIIVCMGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-34(32,33)29-14-12-28(13-15-29)22-18-26-17-21-23(31)16-24(27-19-8-4-2-5-9-19)30(25(21)22)20-10-6-3-7-11-20/h2-11,16-18,27H,12-15H2,1H3.
What are the key properties of 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 475.57 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).