[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone

C24H25ClN4O3S — CID 11489287

IUPAC[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)ccc2C1
InChIInChI=1S/C24H25ClN4O3S/c1-27-9-8-22-19(16-27)4-7-23(26-22)24(30)28-10-12-29(13-11-28)33(31,32)21-6-3-17-14-20(25)5-2-18(17)15-21/h2-7,14-15H,8-13,16H2,1H3
InChIKeyCOAWHBXFKIKJNJ-UHFFFAOYSA-N
MW485.01 g/mol
LogP3.02
Rot. Bonds3

About [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone (PubChem CID 11489287) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone
PubChem CID11489287
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone
SMILESCN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)ccc2C1
InChIInChI=1S/C24H25ClN4O3S/c1-27-9-8-22-19(16-27)4-7-23(26-22)24(30)28-10-12-29(13-11-28)33(31,32)21-6-3-17-14-20(25)5-2-18(17)15-21/h2-7,14-15H,8-13,16H2,1H3
InChIKeyCOAWHBXFKIKJNJ-UHFFFAOYSA-N
XLogP3.02
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone?
The IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone (CID 11489287) is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone.
What is the SMILES notation for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone?
The canonical SMILES for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)ccc2C1.
What is the InChIKey of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone?
The InChIKey is COAWHBXFKIKJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-27-9-8-22-19(16-27)4-7-23(26-22)24(30)28-10-12-29(13-11-28)33(31,32)21-6-3-17-14-20(25)5-2-18(17)15-21/h2-7,14-15H,8-13,16H2,1H3.
What are the key properties of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone?
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone has a molecular weight of 485.01 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanone is sourced from PubChem (CID 11489287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).