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

C20H25N7O — CID 135873884

IUPAC1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cncnc2)C1
InChIInChI=1S/C20H25N7O/c1-13(26-10-15(11-26)6-14-7-21-12-22-8-14)18-24-19-17(20(28)25-18)9-23-27(19)16-4-2-3-5-16/h7-9,12-13,15-16H,2-6,10-11H2,1H3,(H,24,25,28)/t13-/m1/s1
InChIKeyUCINOQOQKMLJEM-CYBMUJFWSA-N
MW379.47 g/mol
LogP2.26
Rot. Bonds5

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

1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873884) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873884
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cncnc2)C1
InChIInChI=1S/C20H25N7O/c1-13(26-10-15(11-26)6-14-7-21-12-22-8-14)18-24-19-17(20(28)25-18)9-23-27(19)16-4-2-3-5-16/h7-9,12-13,15-16H,2-6,10-11H2,1H3,(H,24,25,28)/t13-/m1/s1
InChIKeyUCINOQOQKMLJEM-CYBMUJFWSA-N
XLogP2.26
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.26
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
trans-1-cyclopentyl-6-(4-methyl-1-((2-methylpyrimidin-5-yl)methyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860093
1-(oxan-4-yl)-6-[(1R)-1-(3-pyrimidin-5-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873857
6-[(1R)-1-[3-(5-methylpyrimidin-2-yl)azetidin-1-yl]propyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873866
6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873870
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-4-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873885
1-cyclopentyl-6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873886
1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873900
1-cyclopentyl-6-[(1R)-1-[3-(5-methylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873901
1-cyclopentyl-6-[(1R)-1-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873902
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873884) is 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cncnc2)C1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UCINOQOQKMLJEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N7O/c1-13(26-10-15(11-26)6-14-7-21-12-22-8-14)18-24-19-17(20(28)25-18)9-23-27(19)16-4-2-3-5-16/h7-9,12-13,15-16H,2-6,10-11H2,1H3,(H,24,25,28)/t13-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 379.47 g/mol, XLogP of 2.26, 5 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-(pyrimidin-5-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).