5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C17H12BrN5O — CID 23824719

IUPAC5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cn1
InChIInChI=1S/C17H12BrN5O/c1-11-21-16-14(10-20-23(16)13-5-3-2-4-6-13)17(24)22(11)15-8-7-12(18)9-19-15/h2-10H,1H3
InChIKeySLNNDSMUKMTXJL-UHFFFAOYSA-N
MW382.22 g/mol
LogP3.04
Rot. Bonds2

About 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 23824719) has the molecular formula C17H12BrN5O and a molecular weight of 382.22 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID23824719
Molecular FormulaC17H12BrN5O
Molecular Weight382.22 g/mol
Exact Mass381.02
IUPAC Name5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cn1
InChIInChI=1S/C17H12BrN5O/c1-11-21-16-14(10-20-23(16)13-5-3-2-4-6-13)17(24)22(11)15-8-7-12(18)9-19-15/h2-10H,1H3
InChIKeySLNNDSMUKMTXJL-UHFFFAOYSA-N
XLogP3.04
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-Phenyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1939424
Pyrazolo[3,4-d]pyrimidin-4(5H)-one, 5-allyl-6-methyl-1-phenyl-
CID 535047
US11344549, Example 209
CID 165112369
5-(4-bromophenyl)-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 1284324
1-Phenyl-5-[(pyridin-2-YL)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3239866
7-phenyl-3-[(3-pyridinylmethylene)amino]-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 6877168
N-(4-bromo-3-methylphenyl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16012244
6-methyl-1-phenyl-5-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 44442424
5-(4-chlorophenyl)-6-methyl-1-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 44442434
6-[(2-aminoanilino)methyl]-1-(4-bromophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 162675803
1-Methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 164612454
1-Methyl-5-phenyl-6-(1-pyrimidin-5-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 164618350

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 23824719) is 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cn1.
What is the InChIKey of 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SLNNDSMUKMTXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O/c1-11-21-16-14(10-20-23(16)13-5-3-2-4-6-13)17(24)22(11)15-8-7-12(18)9-19-15/h2-10H,1H3.
What are the key properties of 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 382.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-pyridinyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 23824719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).