[4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

C26H23FN4O3S — CID 24737126

IUPAC[4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc(-c4ccc(F)cc4)c4cccnc34)CC2)cc1
InChIInChI=1S/C26H23FN4O3S/c1-35(33,34)21-10-6-19(7-11-21)26(32)31-15-13-30(14-16-31)25-24-22(3-2-12-28-24)23(17-29-25)18-4-8-20(27)9-5-18/h2-12,17H,13-16H2,1H3
InChIKeyROSFSCRJASYVOW-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.80
Rot. Bonds4

About [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

[4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 24737126) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID24737126
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC Name[4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc(-c4ccc(F)cc4)c4cccnc34)CC2)cc1
InChIInChI=1S/C26H23FN4O3S/c1-35(33,34)21-10-6-19(7-11-21)26(32)31-15-13-30(14-16-31)25-24-22(3-2-12-28-24)23(17-29-25)18-4-8-20(27)9-5-18/h2-12,17H,13-16H2,1H3
InChIKeyROSFSCRJASYVOW-UHFFFAOYSA-N
XLogP3.80
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1,4-diazepan-1-yl]methanone
CID 24734771
7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one
CID 134258777
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
[4-[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 24734739
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 67247043
(4-fluorophenyl)-[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 24720138
[4-(4-aminophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone
CID 59822756
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone (CID 24737126) is [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc(-c4ccc(F)cc4)c4cccnc34)CC2)cc1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is ROSFSCRJASYVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-35(33,34)21-10-6-19(7-11-21)26(32)31-15-13-30(14-16-31)25-24-22(3-2-12-28-24)23(17-29-25)18-4-8-20(27)9-5-18/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
[4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 490.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-fluorophenyl)-1,7-naphthyridin-8-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 24737126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).