6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H21ClN4O2S — CID 92570262

IUPAC6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C18H21ClN4O2S/c19-15-1-3-16(4-2-15)26(24,25)23-10-7-17-14(12-23)11-21-18(22-17)13-5-8-20-9-6-13/h1-4,11,13,20H,5-10,12H2
InChIKeySJGIDESMQSMTQV-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.34
Rot. Bonds3

About 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92570262) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID92570262
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C18H21ClN4O2S/c19-15-1-3-16(4-2-15)26(24,25)23-10-7-17-14(12-23)11-21-18(22-17)13-5-8-20-9-6-13/h1-4,11,13,20H,5-10,12H2
InChIKeySJGIDESMQSMTQV-UHFFFAOYSA-N
XLogP2.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92570262) is 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(C3CCNCC3)ncc2C1.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is SJGIDESMQSMTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-15-1-3-16(4-2-15)26(24,25)23-10-7-17-14(12-23)11-21-18(22-17)13-5-8-20-9-6-13/h1-4,11,13,20H,5-10,12H2.
What are the key properties of 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 392.91 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92570262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).