6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine

C19H15F2N5O2 — CID 135181079

IUPAC6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(C)nc3c(-c3cn[nH]c3)n2)c1F
InChIInChI=1S/C19H15F2N5O2/c1-9-22-6-10-4-12(26-19(18(10)25-9)11-7-23-24-8-11)15-16(20)13(27-2)5-14(28-3)17(15)21/h4-8H,1-3H3,(H,23,24)
InChIKeyMLOGYYKLFQCYLR-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.69
Rot. Bonds4

About 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine

6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine (PubChem CID 135181079) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine
PubChem CID135181079
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(C)nc3c(-c3cn[nH]c3)n2)c1F
InChIInChI=1S/C19H15F2N5O2/c1-9-22-6-10-4-12(26-19(18(10)25-9)11-7-23-24-8-11)15-16(20)13(27-2)5-14(28-3)17(15)21/h4-8H,1-3H3,(H,23,24)
InChIKeyMLOGYYKLFQCYLR-UHFFFAOYSA-N
XLogP3.69
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine;ethane
CID 142381459
4-[4-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidin-8-yl]-2H-pyrrol-2-yl]butan-1-ol
CID 142381107
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 146283443
6-(2-fluoro-3,5-dimethoxy-6-propan-2-ylphenyl)-2-methylpyrido[3,4-d]pyrimidine
CID 135181115
6-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 142381138
6-(2-cyclopropyl-6-fluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine
CID 135181116
8-methoxy-2,6-dimethylquinazoline
CID 143712441
N-cyclopropyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135180923
2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
CID 139385412
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylsulfanyl-8-phenylpyrido[3,4-d]pyrimidine
CID 135180283
8-N-cyclopropyl-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139396194
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395868

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine (CID 135181079) is 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine is COc1cc(OC)c(F)c(-c2cc3cnc(C)nc3c(-c3cn[nH]c3)n2)c1F.
What is the InChIKey of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine?
The InChIKey is MLOGYYKLFQCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-9-22-6-10-4-12(26-19(18(10)25-9)11-7-23-24-8-11)15-16(20)13(27-2)5-14(28-3)17(15)21/h4-8H,1-3H3,(H,23,24).
What are the key properties of 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine?
6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine has a molecular weight of 383.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methyl-8-(1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135181079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).