7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one

C18H12FN3OS — CID 53035286

IUPAC7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccc(F)cc3)c2ncn1Cc1ccncc1
InChIInChI=1S/C18H12FN3OS/c19-14-3-1-13(2-4-14)15-10-24-17-16(15)21-11-22(18(17)23)9-12-5-7-20-8-6-12/h1-8,10-11H,9H2
InChIKeyMXISHPLRWKCKIZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.71
Rot. Bonds3

About 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one

7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 53035286) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID53035286
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccc(F)cc3)c2ncn1Cc1ccncc1
InChIInChI=1S/C18H12FN3OS/c19-14-3-1-13(2-4-14)15-10-24-17-16(15)21-11-22(18(17)23)9-12-5-7-20-8-6-12/h1-8,10-11H,9H2
InChIKeyMXISHPLRWKCKIZ-UHFFFAOYSA-N
XLogP3.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one (CID 53035286) is 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3ccc(F)cc3)c2ncn1Cc1ccncc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MXISHPLRWKCKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-14-3-1-13(2-4-14)15-10-24-17-16(15)21-11-22(18(17)23)9-12-5-7-20-8-6-12/h1-8,10-11H,9H2.
What are the key properties of 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53035286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).