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

C16H25N5O — CID 135965632

IUPAC6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCCC3CC(C)(C)C)nc21
InChIInChI=1S/C16H25N5O/c1-16(2,3)8-11-6-5-7-21(11)10-13-18-14-12(15(22)19-13)9-17-20(14)4/h9,11H,5-8,10H2,1-4H3,(H,18,19,22)
InChIKeyIXEVDBJCETXIGI-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.06
Rot. Bonds3

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

6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135965632) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135965632
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCCC3CC(C)(C)C)nc21
InChIInChI=1S/C16H25N5O/c1-16(2,3)8-11-6-5-7-21(11)10-13-18-14-12(15(22)19-13)9-17-20(14)4/h9,11H,5-8,10H2,1-4H3,(H,18,19,22)
InChIKeyIXEVDBJCETXIGI-UHFFFAOYSA-N
XLogP2.06
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

Pde9-IN-1
CID 137700754
6-(Cyclohexylmethyl)-1-(1-ethylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135422930
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-cyclohexylacetamide
CID 3245013
6-[(1R)-1-(azetidin-1-yl)ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236306
1-cyclopentyl-6-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155510637
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155521088
1-cyclopentyl-6-[[(2R)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155525884
1-cyclopentyl-6-[[(2R)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155531325
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
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 155548362
1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135400935
6-(Cyclohexylmethyl)-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135407177

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135965632) is 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(CN3CCCC3CC(C)(C)C)nc21.
What is the InChIKey of 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IXEVDBJCETXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-16(2,3)8-11-6-5-7-21(11)10-13-18-14-12(15(22)19-13)9-17-20(14)4/h9,11H,5-8,10H2,1-4H3,(H,18,19,22).
What are the key properties of 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 303.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135965632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).