2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one

C15H11F3N4O2 — CID 135682064

IUPAC2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCOCc1nc2cc(-c3ncccc3C(F)(F)F)cnc2c(=O)[nH]1
InChIInChI=1S/C15H11F3N4O2/c1-24-7-11-21-10-5-8(6-20-13(10)14(23)22-11)12-9(15(16,17)18)3-2-4-19-12/h2-6H,7H2,1H3,(H,21,22,23)
InChIKeyPNPXQWUWZUMFHX-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.55
Rot. Bonds3

About 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one

2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 135682064) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID135682064
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCOCc1nc2cc(-c3ncccc3C(F)(F)F)cnc2c(=O)[nH]1
InChIInChI=1S/C15H11F3N4O2/c1-24-7-11-21-10-5-8(6-20-13(10)14(23)22-11)12-9(15(16,17)18)3-2-4-19-12/h2-6H,7H2,1H3,(H,21,22,23)
InChIKeyPNPXQWUWZUMFHX-UHFFFAOYSA-N
XLogP2.55
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
CID 58945607
4-[[2-methoxy-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]benzonitrile
CID 174467133
2-(methoxymethyl)-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030435
N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
CID 10288340
2-(methoxymethyl)-4-quinolin-7-yl-1H-pyrimidin-6-one
CID 136769647
9-chloro-6-(methoxymethyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-12H-quinolino[3,2-c][1,8]naphthyridin-7-one
CID 11684248
3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
CID 89301100
N-[4-(fluoromethylsulfonyl)phenyl]-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 71137419
2-(chloromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 137264750
2-(methoxymethyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 11363965
2-(methoxymethyl)-6-methyl-5-(trifluoromethyl)-1H-benzimidazole
CID 143625976
N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
CID 71033751

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one (CID 135682064) is 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one is COCc1nc2cc(-c3ncccc3C(F)(F)F)cnc2c(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is PNPXQWUWZUMFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-24-7-11-21-10-5-8(6-20-13(10)14(23)22-11)12-9(15(16,17)18)3-2-4-19-12/h2-6H,7H2,1H3,(H,21,22,23).
What are the key properties of 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one?
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 336.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135682064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).