6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C24H23N7O — CID 137274997

IUPAC6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)n(Cc2cccc(CNc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)c2)n1
InChIInChI=1S/C24H23N7O/c1-16-11-17(2)30(29-16)15-19-8-6-7-18(12-19)13-25-24-27-22-21(23(32)28-24)14-26-31(22)20-9-4-3-5-10-20/h3-12,14H,13,15H2,1-2H3,(H2,25,27,28,32)
InChIKeyAEKLJBDZCOFDEX-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.58
Rot. Bonds6

About 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137274997) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137274997
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)n(Cc2cccc(CNc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)c2)n1
InChIInChI=1S/C24H23N7O/c1-16-11-17(2)30(29-16)15-19-8-6-7-18(12-19)13-25-24-27-22-21(23(32)28-24)14-26-31(22)20-9-4-3-5-10-20/h3-12,14H,13,15H2,1-2H3,(H2,25,27,28,32)
InChIKeyAEKLJBDZCOFDEX-UHFFFAOYSA-N
XLogP3.58
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137274997) is 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C)n(Cc2cccc(CNc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)c2)n1.
What is the InChIKey of 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AEKLJBDZCOFDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-16-11-17(2)30(29-16)15-19-8-6-7-18(12-19)13-25-24-27-22-21(23(32)28-24)14-26-31(22)20-9-4-3-5-10-20/h3-12,14H,13,15H2,1-2H3,(H2,25,27,28,32).
What are the key properties of 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 425.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137274997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).