1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one

C17H14FN3O — CID 134810941

IUPAC1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(CC2CC2)c2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3O/c18-13-5-3-12(4-6-13)14-7-8-15-16(20-14)17(22)19-10-21(15)9-11-1-2-11/h3-8,10-11H,1-2,9H2
InChIKeyMEWOKZFZIGFKPY-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.01
Rot. Bonds3

About 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one

1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810941) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810941
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(CC2CC2)c2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3O/c18-13-5-3-12(4-6-13)14-7-8-15-16(20-14)17(22)19-10-21(15)9-11-1-2-11/h3-8,10-11H,1-2,9H2
InChIKeyMEWOKZFZIGFKPY-UHFFFAOYSA-N
XLogP3.01
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carboxylic acid tert-butyl-methyl-amide
CID 90203577
6-(3-Chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810852
3-Amino-6-(3,6-dihydro-2H-pyran-4-yl)pyridine-2-carboxamide
CID 127040262
[5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridin-2-yl]-(4,4-dimethyl-piperidin-1-yl)-methanone
CID 76284102
3-Benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one
CID 134805251
3-Cyclopropyl-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
CID 134805621
3-(2,4-Difluorophenyl)-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134805921
3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134808333
N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
CID 134808652
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710
6-(4-Fluorophenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810828

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810941) is 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one is O=c1ncn(CC2CC2)c2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is MEWOKZFZIGFKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-13-5-3-12(4-6-13)14-7-8-15-16(20-14)17(22)19-10-21(15)9-11-1-2-11/h3-8,10-11H,1-2,9H2.
What are the key properties of 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one?
1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 295.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).