5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C107H71Cl2F7N24 — CID 159263833

IUPAC5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F.Fc1ccc(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.c1cc(-c2ncccc2-c2ccn3nccc3n2)cc(C2CC2)c1
InChIInChI=1S/C20H16N4.C18H11F3N4.C18H14N4.C17H10ClFN4.C17H11ClN4.C17H9F3N4/c1-3-15(14-6-7-14)13-16(4-1)20-17(5-2-10-21-20)18-9-12-24-19(23-18)8-11-22-24;19-18(20,21)13-4-1-3-12(11-13)17-14(5-2-8-22-17)15-7-10-25-16(24-15)6-9-23-25;1-13-4-2-5-14(12-13)18-15(6-3-9-19-18)16-8-11-22-17(21-16)7-10-20-22;18-13-10-11(3-4-14(13)19)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24/h1-5,8-14H,6-7H2;1-11H;2-12H,1H3;1-10H;1-11H;1-9H
InChIKeyKWVQIAPXCBGIGM-UHFFFAOYSA-N
MW1896.80 g/mol
LogP24.82
Rot. Bonds13

About 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 159263833) has the molecular formula C107H71Cl2F7N24 and a molecular weight of 1896.80 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID159263833
Molecular FormulaC107H71Cl2F7N24
Molecular Weight1896.80 g/mol
Exact Mass1894.56
IUPAC Name5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F.Fc1ccc(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.c1cc(-c2ncccc2-c2ccn3nccc3n2)cc(C2CC2)c1
InChIInChI=1S/C20H16N4.C18H11F3N4.C18H14N4.C17H10ClFN4.C17H11ClN4.C17H9F3N4/c1-3-15(14-6-7-14)13-16(4-1)20-17(5-2-10-21-20)18-9-12-24-19(23-18)8-11-22-24;19-18(20,21)13-4-1-3-12(11-13)17-14(5-2-8-22-17)15-7-10-25-16(24-15)6-9-23-25;1-13-4-2-5-14(12-13)18-15(6-3-9-19-18)16-8-11-22-17(21-16)7-10-20-22;18-13-10-11(3-4-14(13)19)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24/h1-5,8-14H,6-7H2;1-11H;2-12H,1H3;1-10H;1-11H;1-9H
InChIKeyKWVQIAPXCBGIGM-UHFFFAOYSA-N
XLogP24.82
TPSA258.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.80
LogP ≤ 524.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

6-(4-Chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;6-(3-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine;3-methyl-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 70599031
4-Chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
CID 134413659
7-[2-(5-Chloro-2-fluorophenyl)-5-[5-fluoro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 139495106
6-[2-Chloro-5-(2,3-dimethylbutyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362518
4-Chloro-1-[2-[4-[4-[4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3-(3-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 145207754
7-[5-[5-Chloro-2-methyl-4-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-pyridinyl]phenyl]-2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 155371082
4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 157098914
Tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157220125
7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157225370
6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;2-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-methyl-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 157285401
2-[2-(8-Chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
CID 157291311
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157337387

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 159263833) is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is Cc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Clc1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.FC(F)(F)c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccn3nccc3n2)cc1F.Fc1ccc(-c2ncccc2-c2ccn3nccc3n2)cc1Cl.c1cc(-c2ncccc2-c2ccn3nccc3n2)cc(C2CC2)c1.
What is the InChIKey of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KWVQIAPXCBGIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4.C18H11F3N4.C18H14N4.C17H10ClFN4.C17H11ClN4.C17H9F3N4/c1-3-15(14-6-7-14)13-16(4-1)20-17(5-2-10-21-20)18-9-12-24-19(23-18)8-11-22-24;19-18(20,21)13-4-1-3-12(11-13)17-14(5-2-8-22-17)15-7-10-25-16(24-15)6-9-23-25;1-13-4-2-5-14(12-13)18-15(6-3-9-19-18)16-8-11-22-17(21-16)7-10-20-22;18-13-10-11(3-4-14(13)19)17-12(2-1-7-20-17)15-6-9-23-16(22-15)5-8-21-23;18-13-4-1-3-12(11-13)17-14(5-2-8-19-17)15-7-10-22-16(21-15)6-9-20-22;18-12-9-14(20)13(19)8-11(12)17-10(2-1-5-21-17)15-4-7-24-16(23-15)3-6-22-24/h1-5,8-14H,6-7H2;1-11H;2-12H,1H3;1-10H;1-11H;1-9H.
What are the key properties of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 1896.80 g/mol, XLogP of 24.82, 13 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 159263833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).