3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

C76H74Cl2F2N22 — CID 161114245

IUPAC3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCC(C)CCCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)c(Cl)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(Cl)c4)c3c2)n[nH]1.CN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccnc4)c3c2)n[nH]1
InChIInChI=1S/C21H22FN5.C19H17ClFN5.C19H18ClN5.C17H17N7/c1-13(2)4-3-5-19-23-21(27-25-19)15-8-11-18-17(12-15)20(26-24-18)14-6-9-16(22)10-7-14;1-10(2)7-17-22-19(26-24-17)12-4-6-16-13(8-12)18(25-23-16)11-3-5-15(21)14(20)9-11;1-11(2)8-17-21-19(25-23-17)13-6-7-16-15(10-13)18(24-22-16)12-4-3-5-14(20)9-12;1-24(2)10-15-19-17(23-21-15)11-5-6-14-13(8-11)16(22-20-14)12-4-3-7-18-9-12/h6-13H,3-5H2,1-2H3,(H,24,26)(H,23,25,27);3-6,8-10H,7H2,1-2H3,(H,23,25)(H,22,24,26);3-7,9-11H,8H2,1-2H3,(H,22,24)(H,21,23,25);3-9H,10H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyUKCJIQVTNJCYGX-UHFFFAOYSA-N
MW1404.48 g/mol
LogP17.48
Rot. Bonds18

About 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 161114245) has the molecular formula C76H74Cl2F2N22 and a molecular weight of 1404.48 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID161114245
Molecular FormulaC76H74Cl2F2N22
Molecular Weight1404.48 g/mol
Exact Mass1402.58
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCC(C)CCCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)c(Cl)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(Cl)c4)c3c2)n[nH]1.CN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccnc4)c3c2)n[nH]1
InChIInChI=1S/C21H22FN5.C19H17ClFN5.C19H18ClN5.C17H17N7/c1-13(2)4-3-5-19-23-21(27-25-19)15-8-11-18-17(12-15)20(26-24-18)14-6-9-16(22)10-7-14;1-10(2)7-17-22-19(26-24-17)12-4-6-16-13(8-12)18(25-23-16)11-3-5-15(21)14(20)9-11;1-11(2)8-17-21-19(25-23-17)13-6-7-16-15(10-13)18(24-22-16)12-4-3-5-14(20)9-12;1-24(2)10-15-19-17(23-21-15)11-5-6-14-13(8-11)16(22-20-14)12-4-3-7-18-9-12/h6-13H,3-5H2,1-2H3,(H,24,26)(H,23,25,27);3-6,8-10H,7H2,1-2H3,(H,23,25)(H,22,24,26);3-7,9-11H,8H2,1-2H3,(H,22,24)(H,21,23,25);3-9H,10H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyUKCJIQVTNJCYGX-UHFFFAOYSA-N
XLogP17.48
TPSA297.13 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001404.48
LogP ≤ 517.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole with MolForge

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Related Compounds

5-[4-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-3-methyl-2H-indazole
CID 169837220
5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole
CID 56971177
6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1-tritylindazole
CID 68929823
6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(2-pyridin-3-ylethenyl)-1-tritylindazole
CID 68929825
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine
CID 145034325
(3E,5E)-N-(1-cyclohexylethenyl)-5-[3-[4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]hepta-1,3,5-trien-3-amine
CID 145034378
5-[(2E,4E)-5-(1-cyclohexylethenylamino)hepta-2,4,6-trien-3-yl]-N-[3-[3-[2-[5-[(2E,4E)-5-[(3,3-difluoropyrrolidin-1-yl)methyl]hepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]propyl]-3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-N-methylpyrazolo[5,4-b]pyridin-1-amine;ethane
CID 145248526
N-(1-cyclohexylethenyl)-5-[3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;ethane
CID 145308173
N-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-[[2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]methyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 154939197
5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine;5-(7-chloro-1H-indazol-5-yl)-2-methoxy-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155068366
5-chloro-N-[1-[[5-[2,4-difluoro-3-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-1H-indazol-5-yl]phenyl]-1H-imidazol-2-yl]methyl]piperidin-3-yl]-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 156334013
3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-ethyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157274566

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 161114245) is 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is CC(C)CCCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc(F)c(Cl)c4)c3c2)n[nH]1.CC(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(Cl)c4)c3c2)n[nH]1.CN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccnc4)c3c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is UKCJIQVTNJCYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5.C19H17ClFN5.C19H18ClN5.C17H17N7/c1-13(2)4-3-5-19-23-21(27-25-19)15-8-11-18-17(12-15)20(26-24-18)14-6-9-16(22)10-7-14;1-10(2)7-17-22-19(26-24-17)12-4-6-16-13(8-12)18(25-23-16)11-3-5-15(21)14(20)9-11;1-11(2)8-17-21-19(25-23-17)13-6-7-16-15(10-13)18(24-22-16)12-4-3-5-14(20)9-12;1-24(2)10-15-19-17(23-21-15)11-5-6-14-13(8-11)16(22-20-14)12-4-3-7-18-9-12/h6-13H,3-5H2,1-2H3,(H,24,26)(H,23,25,27);3-6,8-10H,7H2,1-2H3,(H,23,25)(H,22,24,26);3-7,9-11H,8H2,1-2H3,(H,22,24)(H,21,23,25);3-9H,10H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 1404.48 g/mol, XLogP of 17.48, 18 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(3-chlorophenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;N,N-dimethyl-1-[3-(3-pyridin-3-yl-1H-indazol-5-yl)-1H-1,2,4-triazol-5-yl]methanamine;3-(4-fluorophenyl)-5-[5-(4-methylpentyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 161114245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).