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

C19H13FN4O — CID 10544535

IUPAC(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)c2cccc(F)c2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H13FN4O/c1-12-22-17(18(25)13-6-5-7-14(20)10-13)16-11-21-24(19(16)23-12)15-8-3-2-4-9-15/h2-11H,1H3
InChIKeyQLSAIYBGSUEQQU-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.49
Rot. Bonds3

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

(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone (PubChem CID 10544535) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
PubChem CID10544535
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)c2cccc(F)c2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H13FN4O/c1-12-22-17(18(25)13-6-5-7-14(20)10-13)16-11-21-24(19(16)23-12)15-8-3-2-4-9-15/h2-11H,1H3
InChIKeyQLSAIYBGSUEQQU-UHFFFAOYSA-N
XLogP3.49
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10665128
(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
CID 10711371
3-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136604251
(3-fluorophenyl)-[4-[6-[(2R)-pentan-2-yl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 93126630
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 7995915
1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247485
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
1-[3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]azetidin-2-one
CID 154841504
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726491

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone (CID 10544535) is (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone is Cc1nc(C(=O)c2cccc(F)c2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
The InChIKey is QLSAIYBGSUEQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c1-12-22-17(18(25)13-6-5-7-14(20)10-13)16-11-21-24(19(16)23-12)15-8-3-2-4-9-15/h2-11H,1H3.
What are the key properties of (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone?
(3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone has a molecular weight of 332.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone is sourced from PubChem (CID 10544535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).