6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H21F3N4O — CID 137106763

IUPAC6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(C(C)c2ccc(C(F)(F)F)cc2)c2nc(C3CCCC3)[nH]c(=O)c12
InChIInChI=1S/C20H21F3N4O/c1-11-16-18(24-17(25-19(16)28)14-5-3-4-6-14)27(26-11)12(2)13-7-9-15(10-8-13)20(21,22)23/h7-10,12,14H,3-6H2,1-2H3,(H,24,25,28)
InChIKeyLJNHAKDIHOMTLZ-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.71
Rot. Bonds3

About 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137106763) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137106763
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nn(C(C)c2ccc(C(F)(F)F)cc2)c2nc(C3CCCC3)[nH]c(=O)c12
InChIInChI=1S/C20H21F3N4O/c1-11-16-18(24-17(25-19(16)28)14-5-3-4-6-14)27(26-11)12(2)13-7-9-15(10-8-13)20(21,22)23/h7-10,12,14H,3-6H2,1-2H3,(H,24,25,28)
InChIKeyLJNHAKDIHOMTLZ-UHFFFAOYSA-N
XLogP4.71
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137106763) is 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nn(C(C)c2ccc(C(F)(F)F)cc2)c2nc(C3CCCC3)[nH]c(=O)c12.
What is the InChIKey of 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LJNHAKDIHOMTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-11-16-18(24-17(25-19(16)28)14-5-3-4-6-14)27(26-11)12(2)13-7-9-15(10-8-13)20(21,22)23/h7-10,12,14H,3-6H2,1-2H3,(H,24,25,28).
What are the key properties of 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 390.41 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137106763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).