3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C21H24F3N5O — CID 137289727

IUPAC3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(c1ccc(C(F)(F)F)cn1)n1nc(C2CCCCC2)c2c(=O)[nH]c(C)nc21
InChIInChI=1S/C21H24F3N5O/c1-3-16(15-10-9-14(11-25-15)21(22,23)24)29-19-17(20(30)27-12(2)26-19)18(28-29)13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3,(H,26,27,30)
InChIKeyIUUUNWYBWRQQEK-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.89
Rot. Bonds4

About 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137289727) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137289727
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(c1ccc(C(F)(F)F)cn1)n1nc(C2CCCCC2)c2c(=O)[nH]c(C)nc21
InChIInChI=1S/C21H24F3N5O/c1-3-16(15-10-9-14(11-25-15)21(22,23)24)29-19-17(20(30)27-12(2)26-19)18(28-29)13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3,(H,26,27,30)
InChIKeyIUUUNWYBWRQQEK-UHFFFAOYSA-N
XLogP4.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137304576
3-cyclopropyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289651
3-cyclopropyl-1-[(1R)-1-[6-(1,1-difluoroethyl)-3-pyridinyl]propyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146728067
3-cyclopropyl-6-methyl-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-cyclopropyl-6-methyl-1-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 162100472
3-cyclopropyl-1-[1-(4,5-difluoro-2-pyridinyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146595200
3-cyclopropyl-6-methyl-1-[1-[4-(trifluoromethoxy)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289743
3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289711
3-cyclopropyl-1-[1-(3,4-difluorophenyl)ethyl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289735
3-cyclopropyl-6-[(5-methoxy-2-pyridinyl)methyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137289732
3-ethyl-6-methyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137277590
6-cyclopentyl-3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137106763
3,6-dimethyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137106566

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137289727) is 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(c1ccc(C(F)(F)F)cn1)n1nc(C2CCCCC2)c2c(=O)[nH]c(C)nc21.
What is the InChIKey of 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IUUUNWYBWRQQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c1-3-16(15-10-9-14(11-25-15)21(22,23)24)29-19-17(20(30)27-12(2)26-19)18(28-29)13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3,(H,26,27,30).
What are the key properties of 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 419.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137289727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).