1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one

C20H17ClF3N7O — CID 159288178

IUPAC1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
SMILESCC(C)c1c(CC(=O)Cc2cc(C(F)(F)F)ncc2-n2nccn2)cnc2cc(Cl)nn12
InChIInChI=1S/C20H17ClF3N7O/c1-11(2)19-13(9-26-18-8-17(21)29-30(18)19)6-14(32)5-12-7-16(20(22,23)24)25-10-15(12)31-27-3-4-28-31/h3-4,7-11H,5-6H2,1-2H3
InChIKeySKPPARVZTHZIHG-UHFFFAOYSA-N
MW463.85 g/mol
LogP3.85
Rot. Bonds6

About 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one

1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one (PubChem CID 159288178) has the molecular formula C20H17ClF3N7O and a molecular weight of 463.85 g/mol. Its IUPAC name is 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
PubChem CID159288178
Molecular FormulaC20H17ClF3N7O
Molecular Weight463.85 g/mol
Exact Mass463.11
IUPAC Name1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
SMILESCC(C)c1c(CC(=O)Cc2cc(C(F)(F)F)ncc2-n2nccn2)cnc2cc(Cl)nn12
InChIInChI=1S/C20H17ClF3N7O/c1-11(2)19-13(9-26-18-8-17(21)29-30(18)19)6-14(32)5-12-7-16(20(22,23)24)25-10-15(12)31-27-3-4-28-31/h3-4,7-11H,5-6H2,1-2H3
InChIKeySKPPARVZTHZIHG-UHFFFAOYSA-N
XLogP3.85
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.85
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one with MolForge

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Related Compounds

tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 159288177
1-[2-chloro-7-[(1S)-1-phenylmethoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one
CID 159148799
tert-butyl 2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 142343536
1-[2-chloro-7-[(2S)-1-methoxybutan-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]urea
CID 142408614
11-chloro-N-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156564049
1-[2-chloro-7-[1-(methoxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one
CID 160701266
6-[[5-chloro-3-[3-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-2-pyridinyl]oxy]-1-(2-propoxyethoxy)hexan-3-one
CID 157145196
5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
CID 137473849
(3S)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-methoxy-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156563886
N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 146578001
1-[2-chloro-7-[(1S)-1-methoxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 118540274
(5R)-11-chloro-3,3-dimethyl-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600113

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
The IUPAC name of 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one (CID 159288178) is 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
The canonical SMILES for 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one is CC(C)c1c(CC(=O)Cc2cc(C(F)(F)F)ncc2-n2nccn2)cnc2cc(Cl)nn12.
What is the InChIKey of 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
The InChIKey is SKPPARVZTHZIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N7O/c1-11(2)19-13(9-26-18-8-17(21)29-30(18)19)6-14(32)5-12-7-16(20(22,23)24)25-10-15(12)31-27-3-4-28-31/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one has a molecular weight of 463.85 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one is sourced from PubChem (CID 159288178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).