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

C18H13ClFN3OS — CID 53147052

IUPAC(5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C18H13ClFN3OS/c19-16-6-5-15(25-16)18(24)23-8-7-14-12(10-23)9-21-17(22-14)11-1-3-13(20)4-2-11/h1-6,9H,7-8,10H2
InChIKeyKNQVHPGURXOAPB-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.20
Rot. Bonds2

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

(5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 53147052) has the molecular formula C18H13ClFN3OS and a molecular weight of 373.84 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID53147052
Molecular FormulaC18H13ClFN3OS
Molecular Weight373.84 g/mol
Exact Mass373.05
IUPAC Name(5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C18H13ClFN3OS/c19-16-6-5-15(25-16)18(24)23-8-7-14-12(10-23)9-21-17(22-14)11-1-3-13(20)4-2-11/h1-6,9H,7-8,10H2
InChIKeyKNQVHPGURXOAPB-UHFFFAOYSA-N
XLogP4.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone 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 (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 53147052) is (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is O=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is KNQVHPGURXOAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3OS/c19-16-6-5-15(25-16)18(24)23-8-7-14-12(10-23)9-21-17(22-14)11-1-3-13(20)4-2-11/h1-6,9H,7-8,10H2.
What are the key properties of (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 373.84 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 53147052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).