tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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

C54H58Cl4F3N17O5 — CID 159288176

IUPACtert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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
SMILESCC(C)c1c(C(=O)O)cnc2cc(Cl)nn12.CC(C)c1c(CC(=O)Cc2cc(C(F)(F)F)ncc2-n2nccn2)cnc2cc(Cl)nn12.CC(C)c1c(CC(=O)OC(C)(C)C)cnc2cc(Cl)nn12.CC(C)c1c(N)cnc2cc(Cl)nn12
InChIInChI=1S/C20H17ClF3N7O.C15H20ClN3O2.C10H10ClN3O2.C9H11ClN4/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;1-9(2)14-10(6-13(20)21-15(3,4)5)8-17-12-7-11(16)18-19(12)14;1-5(2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9;1-5(2)9-6(11)4-12-8-3-7(10)13-14(8)9/h3-4,7-11H,5-6H2,1-2H3;7-9H,6H2,1-5H3;3-5H,1-2H3,(H,15,16);3-5H,11H2,1-2H3
InChIKeyKZTUALGZPKBOFE-UHFFFAOYSA-N
MW1223.98 g/mol
LogP11.54
Rot. Bonds12

About tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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

tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 159288176) has the molecular formula C54H58Cl4F3N17O5 and a molecular weight of 1223.98 g/mol. Its IUPAC name is tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 Nametert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 CID159288176
Molecular FormulaC54H58Cl4F3N17O5
Molecular Weight1223.98 g/mol
Exact Mass1221.35
IUPAC Nametert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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
SMILESCC(C)c1c(C(=O)O)cnc2cc(Cl)nn12.CC(C)c1c(CC(=O)Cc2cc(C(F)(F)F)ncc2-n2nccn2)cnc2cc(Cl)nn12.CC(C)c1c(CC(=O)OC(C)(C)C)cnc2cc(Cl)nn12.CC(C)c1c(N)cnc2cc(Cl)nn12
InChIInChI=1S/C20H17ClF3N7O.C15H20ClN3O2.C10H10ClN3O2.C9H11ClN4/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;1-9(2)14-10(6-13(20)21-15(3,4)5)8-17-12-7-11(16)18-19(12)14;1-5(2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9;1-5(2)9-6(11)4-12-8-3-7(10)13-14(8)9/h3-4,7-11H,5-6H2,1-2H3;7-9H,6H2,1-5H3;3-5H,1-2H3,(H,15,16);3-5H,11H2,1-2H3
InChIKeyKZTUALGZPKBOFE-UHFFFAOYSA-N
XLogP11.54
TPSA271.05 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.98
LogP ≤ 511.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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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Launch Full Analysis

Related Compounds

2-chloro-7-[(1R)-1-methoxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1R)-1-methoxy-2-methylpropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 157970792
1-[2-chloro-7-[(1S)-1-hydroxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;2-chloro-7-[(1S)-1-phenylmethoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-phenylmethoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one
CID 159148797
4-[3-(2-amino-4-oxopent-2-en-3-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]-2-chlorobenzoic acid;4-[7-[1-(2,2-difluoropropyl)pyrazol-4-yl]-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methyl-3-pyridinyl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole;2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-2-methylpropanoic acid
CID 159258853
2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;2-(trifluoromethyl)pyridin-4-amine
CID 159425000
1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-(trifluoromethyl)phenyl]-3-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one;tert-butyl N-[[1-[4-[3-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]carbamate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 161669137
4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-b]pyridazin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 161736046
7-Chloroimidazo[1,2-a]pyridine;4-hydroxy-4-imidazo[1,2-a]pyridin-7-yl-3-methylbut-3-en-2-one;1-imidazo[1,2-a]pyridin-7-ylpropan-1-one;3-iodo-7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridine;1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 161950352
2-Chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[1-hydroxy-4-(trifluoromethyl)pyridin-1-ium-2-yl]propan-2-one;1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]propan-2-one
CID 162042110
N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane
CID 157122751
CID 157275812
CID 157275812
1-[2-[[4-[3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;ethyl 1-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
CID 157452704
2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;tert-butyl 2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;bis(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine);trihydrochloride
CID 157466255

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 159288176) is tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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(C(=O)O)cnc2cc(Cl)nn12.CC(C)c1c(CC(=O)Cc2cc(C(F)(F)F)ncc2-n2nccn2)cnc2cc(Cl)nn12.CC(C)c1c(CC(=O)OC(C)(C)C)cnc2cc(Cl)nn12.CC(C)c1c(N)cnc2cc(Cl)nn12.
What is the InChIKey of tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 KZTUALGZPKBOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N7O.C15H20ClN3O2.C10H10ClN3O2.C9H11ClN4/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;1-9(2)14-10(6-13(20)21-15(3,4)5)8-17-12-7-11(16)18-19(12)14;1-5(2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9;1-5(2)9-6(11)4-12-8-3-7(10)13-14(8)9/h3-4,7-11H,5-6H2,1-2H3;7-9H,6H2,1-5H3;3-5H,1-2H3,(H,15,16);3-5H,11H2,1-2H3.
What are the key properties of tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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?
tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 1223.98 g/mol, XLogP of 11.54, 12 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;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 159288176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).