6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H24N6O — CID 137266046

IUPAC6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CN(Cc2ccccc2)CC1Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H24N6O/c1-16-13-28(14-17-8-4-2-5-9-17)15-20(16)25-23-26-21-19(22(30)27-23)12-24-29(21)18-10-6-3-7-11-18/h2-12,16,20H,13-15H2,1H3,(H2,25,26,27,30)
InChIKeyGNZAQXJFFUJAFU-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.04
Rot. Bonds5

About 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137266046) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137266046
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CN(Cc2ccccc2)CC1Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H24N6O/c1-16-13-28(14-17-8-4-2-5-9-17)15-20(16)25-23-26-21-19(22(30)27-23)12-24-29(21)18-10-6-3-7-11-18/h2-12,16,20H,13-15H2,1H3,(H2,25,26,27,30)
InChIKeyGNZAQXJFFUJAFU-UHFFFAOYSA-N
XLogP3.04
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137266046) is 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1CN(Cc2ccccc2)CC1Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GNZAQXJFFUJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-13-28(14-17-8-4-2-5-9-17)15-20(16)25-23-26-21-19(22(30)27-23)12-24-29(21)18-10-6-3-7-11-18/h2-12,16,20H,13-15H2,1H3,(H2,25,26,27,30).
What are the key properties of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 400.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137266046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).