1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H20N4O2 — CID 137005153

IUPAC1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1cccc(Oc3ccccc3)c1)nn2C1CCCC1
InChIInChI=1S/C22H20N4O2/c27-22-19-20(25-26(16-8-4-5-9-16)21(19)23-14-24-22)15-7-6-12-18(13-15)28-17-10-2-1-3-11-17/h1-3,6-7,10-14,16H,4-5,8-9H2,(H,23,24,27)
InChIKeyUKLPEROOPVVSIS-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.69
Rot. Bonds4

About 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137005153) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137005153
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1cccc(Oc3ccccc3)c1)nn2C1CCCC1
InChIInChI=1S/C22H20N4O2/c27-22-19-20(25-26(16-8-4-5-9-16)21(19)23-14-24-22)15-7-6-12-18(13-15)28-17-10-2-1-3-11-17/h1-3,6-7,10-14,16H,4-5,8-9H2,(H,23,24,27)
InChIKeyUKLPEROOPVVSIS-UHFFFAOYSA-N
XLogP4.69
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097187
7-(4-oxocyclohexyl)-5-(4-phenoxyphenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 156857378
4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol;4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one
CID 163720363
4-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]cyclohexan-1-one
CID 155357665
4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]cyclohexan-1-one
CID 155345433
4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]cyclohexan-1-one
CID 155345601
3-[4-[3-[(4-chlorophenyl)methoxy]phenoxy]phenyl]-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72695243
3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-sulfinate
CID 175093097
3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzamide
CID 137010699
tert-butyl 3-[4-oxo-3-(4-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 3-[3-(4-phenoxyphenyl)-4-(trifluoromethylsulfonyloxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(4-methoxyphenyl)methanamine;phenylmethanamine;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 164950709
1-(oxan-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 163405666
6-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]spiro[3.3]heptan-2-one
CID 178016187

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137005153) is 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1cccc(Oc3ccccc3)c1)nn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UKLPEROOPVVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22-19-20(25-26(16-8-4-5-9-16)21(19)23-14-24-22)15-7-6-12-18(13-15)28-17-10-2-1-3-11-17/h1-3,6-7,10-14,16H,4-5,8-9H2,(H,23,24,27).
What are the key properties of 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 372.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-phenoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137005153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).