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

C22H26FN5O — CID 135873810

IUPAC1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C22H26FN5O/c1-14(27-11-10-15(13-27)17-8-4-5-9-19(17)23)20-25-21-18(22(29)26-20)12-24-28(21)16-6-2-3-7-16/h4-5,8-9,12,14-16H,2-3,6-7,10-11,13H2,1H3,(H,25,26,29)/t14-,15?/m1/s1
InChIKeyPPECTGCFLSGBEM-GICMACPYSA-N
MW395.48 g/mol
LogP3.92
Rot. Bonds4

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

1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873810) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873810
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C22H26FN5O/c1-14(27-11-10-15(13-27)17-8-4-5-9-19(17)23)20-25-21-18(22(29)26-20)12-24-28(21)16-6-2-3-7-16/h4-5,8-9,12,14-16H,2-3,6-7,10-11,13H2,1H3,(H,25,26,29)/t14-,15?/m1/s1
InChIKeyPPECTGCFLSGBEM-GICMACPYSA-N
XLogP3.92
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873810) is 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)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-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccccc2F)C1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PPECTGCFLSGBEM-GICMACPYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-14(27-11-10-15(13-27)17-8-4-5-9-19(17)23)20-25-21-18(22(29)26-20)12-24-28(21)16-6-2-3-7-16/h4-5,8-9,12,14-16H,2-3,6-7,10-11,13H2,1H3,(H,25,26,29)/t14-,15?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 395.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(1R)-1-[3-(2-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).