3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C17H14FN3O2 — CID 134810943

IUPAC3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(F)ccc1-c1ccc2ncn(C3CC3)c(=O)c2n1
InChIInChI=1S/C17H14FN3O2/c1-23-15-8-10(18)2-5-12(15)13-6-7-14-16(20-13)17(22)21(9-19-14)11-3-4-11/h2,5-9,11H,3-4H2,1H3
InChIKeyISUCIMLLQVJTIM-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.94
Rot. Bonds3

About 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810943) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810943
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(F)ccc1-c1ccc2ncn(C3CC3)c(=O)c2n1
InChIInChI=1S/C17H14FN3O2/c1-23-15-8-10(18)2-5-12(15)13-6-7-14-16(20-13)17(22)21(9-19-14)11-3-4-11/h2,5-9,11H,3-4H2,1H3
InChIKeyISUCIMLLQVJTIM-UHFFFAOYSA-N
XLogP2.94
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 57345597
6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 17756824
3-(2,4-Difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806260
3-(2,4-Difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808633
3-(2,4-Difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810714
1-Benzyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810844
6-(3-Fluoro-4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810871
3-Cyclopropyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134808634
6-(3,4-Dimethoxyphenyl)-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 134808997
3-Cyclopropyl-6-(3-hydroxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810923
3-Cyclopropyl-6-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one
CID 134805959

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810943) is 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1cc(F)ccc1-c1ccc2ncn(C3CC3)c(=O)c2n1.
What is the InChIKey of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ISUCIMLLQVJTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-15-8-10(18)2-5-12(15)13-6-7-14-16(20-13)17(22)21(9-19-14)11-3-4-11/h2,5-9,11H,3-4H2,1H3.
What are the key properties of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 311.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).