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

C17H13ClFN3O2S2 — CID 53147373

IUPAC6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C17H13ClFN3O2S2/c18-15-5-6-16(25-15)26(23,24)22-8-7-14-12(10-22)9-20-17(21-14)11-1-3-13(19)4-2-11/h1-6,9H,7-8,10H2
InChIKeyCRNGVJHVUOZBBQ-UHFFFAOYSA-N
MW409.90 g/mol
LogP3.74
Rot. Bonds3

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

6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 53147373) has the molecular formula C17H13ClFN3O2S2 and a molecular weight of 409.90 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID53147373
Molecular FormulaC17H13ClFN3O2S2
Molecular Weight409.90 g/mol
Exact Mass409.01
IUPAC Name6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C17H13ClFN3O2S2/c18-15-5-6-16(25-15)26(23,24)22-8-7-14-12(10-22)9-20-17(21-14)11-1-3-13(19)4-2-11/h1-6,9H,7-8,10H2
InChIKeyCRNGVJHVUOZBBQ-UHFFFAOYSA-N
XLogP3.74
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-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-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 53147373) is 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CRNGVJHVUOZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S2/c18-15-5-6-16(25-15)26(23,24)22-8-7-14-12(10-22)9-20-17(21-14)11-1-3-13(19)4-2-11/h1-6,9H,7-8,10H2.
What are the key properties of 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 409.90 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)sulfonyl-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 53147373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).