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

C24H31N5O3 — CID 135873921

IUPAC1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(C2CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1OC
InChIInChI=1S/C24H31N5O3/c1-15(28-12-11-16(14-28)18-9-6-10-20(31-2)21(18)32-3)22-26-23-19(24(30)27-22)13-25-29(23)17-7-4-5-8-17/h6,9-10,13,15-17H,4-5,7-8,11-12,14H2,1-3H3,(H,26,27,30)/t15-,16?/m1/s1
InChIKeyGMXXJPOWTNNBRW-AAFJCEBUSA-N
MW437.54 g/mol
LogP3.80
Rot. Bonds6

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

1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873921) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873921
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(C2CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1OC
InChIInChI=1S/C24H31N5O3/c1-15(28-12-11-16(14-28)18-9-6-10-20(31-2)21(18)32-3)22-26-23-19(24(30)27-22)13-25-29(23)17-7-4-5-8-17/h6,9-10,13,15-17H,4-5,7-8,11-12,14H2,1-3H3,(H,26,27,30)/t15-,16?/m1/s1
InChIKeyGMXXJPOWTNNBRW-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873921) is 1-cyclopentyl-6-[(1R)-1-[3-(2,3-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-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc(C2CCN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)c1OC.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GMXXJPOWTNNBRW-AAFJCEBUSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-15(28-12-11-16(14-28)18-9-6-10-20(31-2)21(18)32-3)22-26-23-19(24(30)27-22)13-25-29(23)17-7-4-5-8-17/h6,9-10,13,15-17H,4-5,7-8,11-12,14H2,1-3H3,(H,26,27,30)/t15-,16?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-(2,3-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-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).