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

C22H26FN5O — CID 135873910

IUPAC1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN5O/c1-14(27-12-16(13-27)9-15-5-4-6-17(23)10-15)20-25-21-19(22(29)26-20)11-24-28(21)18-7-2-3-8-18/h4-6,10-11,14,16,18H,2-3,7-9,12-13H2,1H3,(H,25,26,29)/t14-/m1/s1
InChIKeyMORMQPVGXHXYKO-CQSZACIVSA-N
MW395.48 g/mol
LogP3.61
Rot. Bonds5

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

1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873910) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873910
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN5O/c1-14(27-12-16(13-27)9-15-5-4-6-17(23)10-15)20-25-21-19(22(29)26-20)11-24-28(21)18-7-2-3-8-18/h4-6,10-11,14,16,18H,2-3,7-9,12-13H2,1H3,(H,25,26,29)/t14-/m1/s1
InChIKeyMORMQPVGXHXYKO-CQSZACIVSA-N
XLogP3.61
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-[(3S,4S)-1-(4-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886489
6-Benzyl-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135908600
trans-1-cyclopentyl-6-(4-methyl-1-(3-methylbenzyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860086
1-cyclopentyl-6-[(1R)-1-(3-phenylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873914
trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135875901
PDE-9 inhibitor
CID 135886459
6-[(3S,4S)-1-(3-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886483
6-[(3S,4S)-1-benzyl-4-ethylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886491
6-[(3S,4S)-1-(2-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886495
N-[3-(2-fluorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136030746

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873910) is 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MORMQPVGXHXYKO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-14(27-12-16(13-27)9-15-5-4-6-17(23)10-15)20-25-21-19(22(29)26-20)11-24-28(21)18-7-2-3-8-18/h4-6,10-11,14,16,18H,2-3,7-9,12-13H2,1H3,(H,25,26,29)/t14-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[3-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 395.48 g/mol, XLogP of 3.61, 5 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-[(3-fluorophenyl)methyl]azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).