1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C21H27N7O — CID 135873903

IUPAC1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)nc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1
InChIInChI=1S/C21H27N7O/c1-12-8-13(2)24-19(23-12)15-10-27(11-15)14(3)18-25-20-17(21(29)26-18)9-22-28(20)16-6-4-5-7-16/h8-9,14-16H,4-7,10-11H2,1-3H3,(H,25,26,29)/t14-/m1/s1
InChIKeyUZRHCNUDVUCVJT-CQSZACIVSA-N
MW393.50 g/mol
LogP2.80
Rot. Bonds4

About 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873903) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873903
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)nc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1
InChIInChI=1S/C21H27N7O/c1-12-8-13(2)24-19(23-12)15-10-27(11-15)14(3)18-25-20-17(21(29)26-18)9-22-28(20)16-6-4-5-7-16/h8-9,14-16H,4-7,10-11H2,1-3H3,(H,25,26,29)/t14-/m1/s1
InChIKeyUZRHCNUDVUCVJT-CQSZACIVSA-N
XLogP2.80
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Cyclopentyl-6-{(1r)-1-[3-(Pyrimidin-2-Yl)azetidin-1-Yl]ethyl}-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566744
N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873859
6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873871
6-[(1R)-1-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873872
1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-5-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873882
1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873884

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873903) is 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C)nc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UZRHCNUDVUCVJT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27N7O/c1-12-8-13(2)24-19(23-12)15-10-27(11-15)14(3)18-25-20-17(21(29)26-18)9-22-28(20)16-6-4-5-7-16/h8-9,14-16H,4-7,10-11H2,1-3H3,(H,25,26,29)/t14-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 393.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).