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

C22H26FN5O — CID 135873811

IUPAC1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN5O/c1-14(27-11-10-16(13-27)15-6-8-17(23)9-7-15)20-25-21-19(22(29)26-20)12-24-28(21)18-4-2-3-5-18/h6-9,12,14,16,18H,2-5,10-11,13H2,1H3,(H,25,26,29)/t14-,16?/m1/s1
InChIKeyKHQDLQQDGGVJAZ-IURRXHLWSA-N
MW395.48 g/mol
LogP3.92
Rot. Bonds4

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

1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873811) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873811
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H26FN5O/c1-14(27-11-10-16(13-27)15-6-8-17(23)9-7-15)20-25-21-19(22(29)26-20)12-24-28(21)18-4-2-3-5-18/h6-9,12,14,16,18H,2-5,10-11,13H2,1H3,(H,25,26,29)/t14-,16?/m1/s1
InChIKeyKHQDLQQDGGVJAZ-IURRXHLWSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873811) is 1-cyclopentyl-6-[(1R)-1-[3-(4-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-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KHQDLQQDGGVJAZ-IURRXHLWSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-14(27-11-10-16(13-27)15-6-8-17(23)9-7-15)20-25-21-19(22(29)26-20)12-24-28(21)18-4-2-3-5-18/h6-9,12,14,16,18H,2-5,10-11,13H2,1H3,(H,25,26,29)/t14-,16?/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-(4-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-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).