2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C98H79BBrCl3F12N26O11 — CID 162128888

IUPAC2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC1(C)OB(c2cccnc2Cl)OC1(C)C.CCOC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.CCOC(=O)c1cnn2ccc(-c3cccnc3Cl)nc12.CCOC(=O)c1cnn2ccc(Cl)nc12.CN.CNC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.FC(F)(F)c1cccc(Br)n1.O=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C20H14F3N5O2.C19H13F3N6O.C18H10F3N5O2.C14H11ClN4O2.C11H15BClNO2.C9H8ClN3O2.C6H3BrF3N.CH5N/c1-2-30-19(29)13-11-25-28-10-8-14(27-18(13)28)12-5-4-9-24-17(12)15-6-3-7-16(26-15)20(21,22)23;1-23-18(29)12-10-25-28-9-7-13(27-17(12)28)11-4-3-8-24-16(11)14-5-2-6-15(26-14)19(20,21)22;19-18(20,21)14-5-1-4-13(24-14)15-10(3-2-7-22-15)12-6-8-26-16(25-12)11(9-23-26)17(27)28;1-2-21-14(20)10-8-17-19-7-5-11(18-13(10)19)9-4-3-6-16-12(9)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;7-5-3-1-2-4(11-5)6(8,9)10;1-2/h3-11H,2H2,1H3;2-10H,1H3,(H,23,29);1-9H,(H,27,28);3-8H,2H2,1H3;5-7H,1-4H3;3-5H,2H2,1H3;1-3H;2H2,1H3
InChIKeyZIKCRXAYLUZAMH-UHFFFAOYSA-N
MW2221.93 g/mol
LogP19.50
Rot. Bonds16

About 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 162128888) has the molecular formula C98H79BBrCl3F12N26O11 and a molecular weight of 2221.93 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID162128888
Molecular FormulaC98H79BBrCl3F12N26O11
Molecular Weight2221.93 g/mol
Exact Mass2218.46
IUPAC Name2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC1(C)OB(c2cccnc2Cl)OC1(C)C.CCOC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.CCOC(=O)c1cnn2ccc(-c3cccnc3Cl)nc12.CCOC(=O)c1cnn2ccc(Cl)nc12.CN.CNC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.FC(F)(F)c1cccc(Br)n1.O=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C20H14F3N5O2.C19H13F3N6O.C18H10F3N5O2.C14H11ClN4O2.C11H15BClNO2.C9H8ClN3O2.C6H3BrF3N.CH5N/c1-2-30-19(29)13-11-25-28-10-8-14(27-18(13)28)12-5-4-9-24-17(12)15-6-3-7-16(26-15)20(21,22)23;1-23-18(29)12-10-25-28-9-7-13(27-17(12)28)11-4-3-8-24-16(11)14-5-2-6-15(26-14)19(20,21)22;19-18(20,21)14-5-1-4-13(24-14)15-10(3-2-7-22-15)12-6-8-26-16(25-12)11(9-23-26)17(27)28;1-2-21-14(20)10-8-17-19-7-5-11(18-13(10)19)9-4-3-6-16-12(9)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;7-5-3-1-2-4(11-5)6(8,9)10;1-2/h3-11H,2H2,1H3;2-10H,1H3,(H,23,29);1-9H,(H,27,28);3-8H,2H2,1H3;5-7H,1-4H3;3-5H,2H2,1H3;1-3H;2H2,1H3
InChIKeyZIKCRXAYLUZAMH-UHFFFAOYSA-N
XLogP19.50
TPSA456.74 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002221.93
LogP ≤ 519.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 160931623
CID 160931623
CID 161634290
CID 161634290
(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;cis-(1R,2R)-2-ethyl-N-methylcyclohexan-1-amine;1-[(6-cyclopropyl-8-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;2H-pyrrole;hydrochloride
CID 157109539
3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-methylpropan-1-amine
CID 157176106
5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 158116620
1-[7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidin-3-yl]ethanone;1-bromobutane;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 158234592
CID 158271333
CID 158271333
CID 158403825
CID 158403825
2-(1-benzylpiperidin-4-yl)ethanamine;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,4-difluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 158605381
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 158962042
lithium;3-cyclopentyl-5-fluoropyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydroxide
CID 159011367
Lithium;3-cyclopentyl-5-fluoropyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydroxide
CID 159011368

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 162128888) is 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCOC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.CCOC(=O)c1cnn2ccc(-c3cccnc3Cl)nc12.CCOC(=O)c1cnn2ccc(Cl)nc12.CN.CNC(=O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.FC(F)(F)c1cccc(Br)n1.O=C(O)c1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.
What is the InChIKey of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZIKCRXAYLUZAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2.C19H13F3N6O.C18H10F3N5O2.C14H11ClN4O2.C11H15BClNO2.C9H8ClN3O2.C6H3BrF3N.CH5N/c1-2-30-19(29)13-11-25-28-10-8-14(27-18(13)28)12-5-4-9-24-17(12)15-6-3-7-16(26-15)20(21,22)23;1-23-18(29)12-10-25-28-9-7-13(27-17(12)28)11-4-3-8-24-16(11)14-5-2-6-15(26-14)19(20,21)22;19-18(20,21)14-5-1-4-13(24-14)15-10(3-2-7-22-15)12-6-8-26-16(25-12)11(9-23-26)17(27)28;1-2-21-14(20)10-8-17-19-7-5-11(18-13(10)19)9-4-3-6-16-12(9)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;7-5-3-1-2-4(11-5)6(8,9)10;1-2/h3-11H,2H2,1H3;2-10H,1H3,(H,23,29);1-9H,(H,27,28);3-8H,2H2,1H3;5-7H,1-4H3;3-5H,2H2,1H3;1-3H;2H2,1H3.
What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 2221.93 g/mol, XLogP of 19.50, 16 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 162128888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).