6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H23N5O — CID 135965560

IUPAC6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)cc1C
InChIInChI=1S/C19H23N5O/c1-12-6-7-14(9-13(12)2)16-5-4-8-24(16)11-17-21-18-15(19(25)22-17)10-20-23(18)3/h6-7,9-10,16H,4-5,8,11H2,1-3H3,(H,21,22,25)
InChIKeyXKQAPTJCTACIOS-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.61
Rot. Bonds3

About 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135965560) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135965560
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)cc1C
InChIInChI=1S/C19H23N5O/c1-12-6-7-14(9-13(12)2)16-5-4-8-24(16)11-17-21-18-15(19(25)22-17)10-20-23(18)3/h6-7,9-10,16H,4-5,8,11H2,1-3H3,(H,21,22,25)
InChIKeyXKQAPTJCTACIOS-UHFFFAOYSA-N
XLogP2.61
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-[[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136822036
6-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731448
6-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136822027
1-methyl-6-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048539
6-[[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820821
6-[[3-(3,4-difluorophenyl)piperidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167904217
1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965609
6,7-dimethoxy-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951577
6-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136829763
1-methyl-6-[[(2R)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048562
1-methyl-6-[[3-(pyridine-2-carbonyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663726
1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262542

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135965560) is 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(C2CCCN2Cc2nc3c(cnn3C)c(=O)[nH]2)cc1C.
What is the InChIKey of 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XKQAPTJCTACIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-6-7-14(9-13(12)2)16-5-4-8-24(16)11-17-21-18-15(19(25)22-17)10-20-23(18)3/h6-7,9-10,16H,4-5,8,11H2,1-3H3,(H,21,22,25).
What are the key properties of 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135965560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).