6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H23N5O2 — CID 136829763

IUPAC6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1C1CCCN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H23N5O2/c1-30-20-12-6-5-10-17(20)19-11-7-13-27(19)15-21-25-22-18(23(29)26-21)14-24-28(22)16-8-3-2-4-9-16/h2-6,8-10,12,14,19H,7,11,13,15H2,1H3,(H,25,26,29)
InChIKeySUBZKJCFLKJJFD-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.45
Rot. Bonds5

About 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136829763) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136829763
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1C1CCCN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H23N5O2/c1-30-20-12-6-5-10-17(20)19-11-7-13-27(19)15-21-25-22-18(23(29)26-21)14-24-28(22)16-8-3-2-4-9-16/h2-6,8-10,12,14,19H,7,11,13,15H2,1H3,(H,25,26,29)
InChIKeySUBZKJCFLKJJFD-UHFFFAOYSA-N
XLogP3.45
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136829763) is 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccccc1C1CCCN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SUBZKJCFLKJJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-30-20-12-6-5-10-17(20)19-11-7-13-27(19)15-21-25-22-18(23(29)26-21)14-24-28(22)16-8-3-2-4-9-16/h2-6,8-10,12,14,19H,7,11,13,15H2,1H3,(H,25,26,29).
What are the key properties of 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136829763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).