(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone

C20H16N4O2 — CID 10665128

IUPAC(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
SMILESCOc1cccc(C(=O)c2nc(C)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H16N4O2/c1-13-22-18(19(25)14-7-6-10-16(11-14)26-2)17-12-21-24(20(17)23-13)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyGJFBLQFIKCZGRR-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.36
Rot. Bonds4

About (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone

(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone (PubChem CID 10665128) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
PubChem CID10665128
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
SMILESCOc1cccc(C(=O)c2nc(C)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H16N4O2/c1-13-22-18(19(25)14-7-6-10-16(11-14)26-2)17-12-21-24(20(17)23-13)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyGJFBLQFIKCZGRR-UHFFFAOYSA-N
XLogP3.36
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10544535
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
CID 10711371
N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide
CID 137258332
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258240
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
6-(chloromethyl)-1-(3-methoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166514772
[4-[6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 42671569

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone (CID 10665128) is (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone is COc1cccc(C(=O)c2nc(C)nc3c2cnn3-c2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
The InChIKey is GJFBLQFIKCZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-22-18(19(25)14-7-6-10-16(11-14)26-2)17-12-21-24(20(17)23-13)15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone has a molecular weight of 344.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone is sourced from PubChem (CID 10665128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).