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

C15H22N6O2 — CID 136580596

IUPAC1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)C(=O)N1CCCC1
InChIInChI=1S/C15H22N6O2/c1-9(2)11(14(23)21-6-4-5-7-21)17-15-18-12-10(13(22)19-15)8-16-20(12)3/h8-9,11H,4-7H2,1-3H3,(H2,17,18,19,22)/t11-/m0/s1
InChIKeyPDKRAMUVNLYGND-NSHDSACASA-N
MW318.38 g/mol
LogP0.72
Rot. Bonds4

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

1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136580596) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136580596
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)C(=O)N1CCCC1
InChIInChI=1S/C15H22N6O2/c1-9(2)11(14(23)21-6-4-5-7-21)17-15-18-12-10(13(22)19-15)8-16-20(12)3/h8-9,11H,4-7H2,1-3H3,(H2,17,18,19,22)/t11-/m0/s1
InChIKeyPDKRAMUVNLYGND-NSHDSACASA-N
XLogP0.72
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

(2S,3S)-3-methyl-2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]pentanoic acid
CID 137098072
2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]hexanoic acid
CID 137061321
(2S)-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,3-dimethylbutanamide
CID 138044160
6-[[(2R)-1-(4-chloropiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625891
1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630559
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630874
6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138042244
2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
CID 167937950
4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid
CID 137168809
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155539455
1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide
CID 138051307

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136580596) is 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)C(=O)N1CCCC1.
What is the InChIKey of 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PDKRAMUVNLYGND-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9(2)11(14(23)21-6-4-5-7-21)17-15-18-12-10(13(22)19-15)8-16-20(12)3/h8-9,11H,4-7H2,1-3H3,(H2,17,18,19,22)/t11-/m0/s1.
What are the key properties of 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 318.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136580596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).