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

C18H16FN3O2 — CID 134810735

IUPAC1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(F)ccc1-c1ccc2c(n1)c(=O)ncn2CC1CC1
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-12(19)4-5-13(16)14-6-7-15-17(21-14)18(23)20-10-22(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3
InChIKeyLFVWECVBLDIPCT-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.02
Rot. Bonds4

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

1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810735) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810735
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(F)ccc1-c1ccc2c(n1)c(=O)ncn2CC1CC1
InChIInChI=1S/C18H16FN3O2/c1-24-16-8-12(19)4-5-13(16)14-6-7-15-17(21-14)18(23)20-10-22(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3
InChIKeyLFVWECVBLDIPCT-UHFFFAOYSA-N
XLogP3.02
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.02
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
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
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-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810943
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-[(4-fluorophenyl)methoxy]pyrido[3,2-d]pyrimidin-4-one
CID 134805959
3-(2,4-Difluorophenyl)-6-(furan-3-yl)pyrido[3,2-d]pyrimidin-4-one
CID 134805960
3-(2,4-Difluorophenyl)-6-(2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134806611

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810735) is 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1cc(F)ccc1-c1ccc2c(n1)c(=O)ncn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is LFVWECVBLDIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-16-8-12(19)4-5-13(16)14-6-7-15-17(21-14)18(23)20-10-22(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 325.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).