2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol

C22H26F3N5O2 — CID 71235314

IUPAC2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C22H26F3N5O2/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29)
InChIKeyLXFAAFKXDBPBJT-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.62
Rot. Bonds5

About 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol

2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol (PubChem CID 71235314) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
PubChem CID71235314
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC Name2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C22H26F3N5O2/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29)
InChIKeyLXFAAFKXDBPBJT-UHFFFAOYSA-N
XLogP4.62
TPSA97.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 89389879
2-[4-[[3-[3-(trifluoromethoxy)phenyl]-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]amino]cyclohexyl]propan-2-ol
CID 123737726
N-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanesulfonamide
CID 71235315
methyl 3-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 161126543
N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 66615220
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;hydrochloride
CID 137331860
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105134
4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 68632642
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol (CID 71235314) is 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?
The InChIKey is LXFAAFKXDBPBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol?
2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol has a molecular weight of 449.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol is sourced from PubChem (CID 71235314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).