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

C24H31N5O3 — CID 135873819

IUPAC1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(C2CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1
InChIInChI=1S/C24H31N5O3/c1-15(28-11-10-16(14-28)19-12-18(31-2)8-9-21(19)32-3)22-26-23-20(24(30)27-22)13-25-29(23)17-6-4-5-7-17/h8-9,12-13,15-17H,4-7,10-11,14H2,1-3H3,(H,26,27,30)/t15-,16?/m1/s1
InChIKeyPTFRIDOVQHEPEL-AAFJCEBUSA-N
MW437.54 g/mol
LogP3.80
Rot. Bonds6

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

1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873819) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873819
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(OC)c(C2CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1
InChIInChI=1S/C24H31N5O3/c1-15(28-11-10-16(14-28)19-12-18(31-2)8-9-21(19)32-3)22-26-23-20(24(30)27-22)13-25-29(23)17-6-4-5-7-17/h8-9,12-13,15-17H,4-7,10-11,14H2,1-3H3,(H,26,27,30)/t15-,16?/m1/s1
InChIKeyPTFRIDOVQHEPEL-AAFJCEBUSA-N
XLogP3.80
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 135886496
CID 135886496
CID 16011903
CID 16011903
CID 70169347
CID 70169347
CID 135873814
CID 135873814
CID 135873828
CID 135873828
CID 135873921
CID 135873921
CID 135873923
CID 135873923
CID 135873925
CID 135873925
CID 135912167
CID 135912167
CID 3237686
CID 3237686
CID 137292502
CID 137292502
CID 136969890
CID 136969890

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873819) is 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(OC)c(C2CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PTFRIDOVQHEPEL-AAFJCEBUSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-15(28-11-10-16(14-28)19-12-18(31-2)8-9-21(19)32-3)22-26-23-20(24(30)27-22)13-25-29(23)17-6-4-5-7-17/h8-9,12-13,15-17H,4-7,10-11,14H2,1-3H3,(H,26,27,30)/t15-,16?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 437.54 g/mol, XLogP of 3.80, 6 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-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).