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

C19H16FN3OS — CID 53147039

IUPAC[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C19H16FN3OS/c1-12-7-9-25-17(12)19(24)23-8-6-16-14(11-23)10-21-18(22-16)13-2-4-15(20)5-3-13/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyCRSWNDQSGPROBQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.85
Rot. Bonds2

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

[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 53147039) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID53147039
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C19H16FN3OS/c1-12-7-9-25-17(12)19(24)23-8-6-16-14(11-23)10-21-18(22-16)13-2-4-15(20)5-3-13/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyCRSWNDQSGPROBQ-UHFFFAOYSA-N
XLogP3.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone (CID 53147039) is [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is CRSWNDQSGPROBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-12-7-9-25-17(12)19(24)23-8-6-16-14(11-23)10-21-18(22-16)13-2-4-15(20)5-3-13/h2-5,7,9-10H,6,8,11H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone?
[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 353.42 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 53147039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).