1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H17F3N4O2 — CID 135787866

IUPAC1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCC1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26)
InChIKeyRMGIJBLCXWOMGX-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.72
Rot. Bonds4

About 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135787866) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135787866
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCC1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26)
InChIKeyRMGIJBLCXWOMGX-UHFFFAOYSA-N
XLogP3.72
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135787866) is 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RMGIJBLCXWOMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)27-14-8-4-1-5-11(14)9-15-23-16-13(17(26)24-15)10-22-25(16)12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H,23,24,26).
What are the key properties of 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 378.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135787866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).