5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one

C12H7FN4O — CID 167233064

IUPAC5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2cncc(F)c12
InChIInChI=1S/C12H7FN4O/c13-8-5-15-6-9-10(8)12(18)17-11(16-9)7-1-3-14-4-2-7/h1-6H,(H,16,17,18)
InChIKeyKTJRZCVDEBWXRR-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.52
Rot. Bonds1

About 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one

5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 167233064) has the molecular formula C12H7FN4O and a molecular weight of 242.21 g/mol. Its IUPAC name is 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID167233064
Molecular FormulaC12H7FN4O
Molecular Weight242.21 g/mol
Exact Mass242.06
IUPAC Name5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2cncc(F)c12
InChIInChI=1S/C12H7FN4O/c13-8-5-15-6-9-10(8)12(18)17-11(16-9)7-1-3-14-4-2-7/h1-6H,(H,16,17,18)
InChIKeyKTJRZCVDEBWXRR-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 71068430
5-(2-fluorophenyl)-4-hydroxy-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 79435149
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
5-(4-bromophenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889218
2-pyridin-4-yl-3H-pteridin-4-one
CID 135932000
2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167649
5-but-2-en-2-yl-6-methyl-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 123172321
5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 166547715
7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;tetrahydrate
CID 22162173
2-[2-(2,2-difluoroethoxy)-4-pyridinyl]-5-fluoro-3H-quinazolin-4-one
CID 167774520
2-pyridin-4-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975277
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one (CID 167233064) is 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2cncc(F)c12.
What is the InChIKey of 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KTJRZCVDEBWXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O/c13-8-5-15-6-9-10(8)12(18)17-11(16-9)7-1-3-14-4-2-7/h1-6H,(H,16,17,18).
What are the key properties of 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 242.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyridin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 167233064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).