4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole

C120H152Cl6F2N14 — CID 159382322

IUPAC4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole
SMILESCC(C)(C)c1c(Cl)ccc2cnn(C3CC3)c12.CC(C)(C)c1c(Cl)ccc2n[nH]c(C3CC3)c12.Cc1[nH]nc2ccc(C(C)C)c(C(C)(C)C)c12.Cc1[nH]nc2ccc(Cl)c(C(C)(C)C)c12.Cc1ccc2c(Cl)cn(C)c2c1C(C)(C)C.Cn1cc(F)c2cccc(C(C)(C)C)c21.Cn1ccc2ccc(Cl)c(C(C)(C)C)c21.Cn1ccc2ccc(F)c(C(C)(C)C)c21.Cn1ncc2ccc(Cl)c(C(C)(C)C)c21
InChIInChI=1S/C15H22N2.2C14H17ClN2.C14H18ClN.C13H16ClN.2C13H16FN.2C12H15ClN2/c1-9(2)11-7-8-12-13(10(3)16-17-12)14(11)15(4,5)6;1-14(2,3)12-11(15)7-4-9-8-16-17(13(9)12)10-5-6-10;1-14(2,3)12-9(15)6-7-10-11(12)13(17-16-10)8-4-5-8;1-9-6-7-10-11(15)8-16(5)13(10)12(9)14(2,3)4;2*1-13(2,3)11-10(14)6-5-9-7-8-15(4)12(9)11;1-13(2,3)10-7-5-6-9-11(14)8-15(4)12(9)10;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10;1-7-10-9(15-14-7)6-5-8(13)11(10)12(2,3)4/h7-9H,1-6H3,(H,16,17);4,7-8,10H,5-6H2,1-3H3;6-8H,4-5H2,1-3H3,(H,16,17);6-8H,1-5H3;3*5-8H,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,14,15)
InChIKeyLLBLXDOIUKLAMZ-UHFFFAOYSA-N
MW2041.35 g/mol
LogP36.15
Rot. Bonds3

About 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole

4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole (PubChem CID 159382322) has the molecular formula C120H152Cl6F2N14 and a molecular weight of 2041.35 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole
PubChem CID159382322
Molecular FormulaC120H152Cl6F2N14
Molecular Weight2041.35 g/mol
Exact Mass2037.04
IUPAC Name4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole
SMILESCC(C)(C)c1c(Cl)ccc2cnn(C3CC3)c12.CC(C)(C)c1c(Cl)ccc2n[nH]c(C3CC3)c12.Cc1[nH]nc2ccc(C(C)C)c(C(C)(C)C)c12.Cc1[nH]nc2ccc(Cl)c(C(C)(C)C)c12.Cc1ccc2c(Cl)cn(C)c2c1C(C)(C)C.Cn1cc(F)c2cccc(C(C)(C)C)c21.Cn1ccc2ccc(Cl)c(C(C)(C)C)c21.Cn1ccc2ccc(F)c(C(C)(C)C)c21.Cn1ncc2ccc(Cl)c(C(C)(C)C)c21
InChIInChI=1S/C15H22N2.2C14H17ClN2.C14H18ClN.C13H16ClN.2C13H16FN.2C12H15ClN2/c1-9(2)11-7-8-12-13(10(3)16-17-12)14(11)15(4,5)6;1-14(2,3)12-11(15)7-4-9-8-16-17(13(9)12)10-5-6-10;1-14(2,3)12-9(15)6-7-10-11(12)13(17-16-10)8-4-5-8;1-9-6-7-10-11(15)8-16(5)13(10)12(9)14(2,3)4;2*1-13(2,3)11-10(14)6-5-9-7-8-15(4)12(9)11;1-13(2,3)10-7-5-6-9-11(14)8-15(4)12(9)10;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10;1-7-10-9(15-14-7)6-5-8(13)11(10)12(2,3)4/h7-9H,1-6H3,(H,16,17);4,7-8,10H,5-6H2,1-3H3;6-8H,4-5H2,1-3H3,(H,16,17);6-8H,1-5H3;3*5-8H,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,14,15)
InChIKeyLLBLXDOIUKLAMZ-UHFFFAOYSA-N
XLogP36.15
TPSA141.40 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.35
LogP ≤ 536.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole with MolForge

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Related Compounds

7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole
CID 135176108
2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole
CID 158236932
1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole
CID 157403006
7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole
CID 158102668
4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline
CID 158353810
3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(4-chloro-3-methylphenyl)-3-methyl-5-propan-2-ylpyrazole;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-methyl-4-propan-2-yl-1H-pyrazole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole);1-(4-fluoro-3-methylphenyl)-3-methyl-5-propan-2-ylpyrazole;4-[5-methyl-1,4-di(propan-2-yl)pyrazol-3-yl]pyridine;3-methyl-1-(3-methylphenyl)-5-propan-2-ylpyrazole;3-methyl-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 159097588
3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(4-chloro-3-methylphenyl)-3-methyl-5-propan-2-ylpyrazole;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;1-(4-chlorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-(4-chlorophenyl)-5-methyl-4-propan-2-yl-1H-pyrazole;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole);1-(4-fluoro-3-methylphenyl)-3-methyl-5-propan-2-ylpyrazole;3-methyl-1-(3-methylphenyl)-5-propan-2-ylpyrazole;3-methyl-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 159235365
4-Chloro-1,5-dimethylindole;6-chloro-1,4-dimethylindole;6-chloro-1,5-dimethylindole;7-chloro-1,5-dimethylindole;ethane;5-ethyl-7-fluoro-1-methylindole;7-fluoro-1-methyl-5-propan-2-ylindole
CID 160001286
5-chloro-6-fluoro-4-propan-2-yl-1H-indazole;5-chloro-6-methyl-4-propan-2-yl-1H-indazole;6-chloro-5-methyl-4-propan-2-yl-1H-indazole;5-chloro-4-propan-2-yl-1H-indazole;5,6-dichloro-4-propan-2-yl-1H-indazole;5-methyl-4-propan-2-yl-1H-indazole
CID 160571107
2,6-ditert-butyl-3-chloro-1H-indole;2,6-ditert-butyl-5-chloro-1H-indole;1,5-ditert-butyl-2,3-dihydroindole;1,6-ditert-butyl-2,3-dihydroindole;1,6-ditert-butylindole;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,5-ditert-butyl-3-methyl-1H-indole;2,6-ditert-butyl-3-methyl-1H-indole
CID 160773254
7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole
CID 160827563
6-chloro-5-methyl-4-propan-2-yl-1H-indazole;5,6-dichloro-4-propan-2-yl-1H-indazole;5,6-dimethyl-4-propan-2-yl-1H-indazole;6-fluoro-5-methyl-4-propan-2-yl-1H-indazole;bis(5-methyl-4-propan-2-yl-1H-indazole)
CID 160927870

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
The IUPAC name of 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole (CID 159382322) is 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole.
What is the SMILES notation for 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
The canonical SMILES for 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole is CC(C)(C)c1c(Cl)ccc2cnn(C3CC3)c12.CC(C)(C)c1c(Cl)ccc2n[nH]c(C3CC3)c12.Cc1[nH]nc2ccc(C(C)C)c(C(C)(C)C)c12.Cc1[nH]nc2ccc(Cl)c(C(C)(C)C)c12.Cc1ccc2c(Cl)cn(C)c2c1C(C)(C)C.Cn1cc(F)c2cccc(C(C)(C)C)c21.Cn1ccc2ccc(Cl)c(C(C)(C)C)c21.Cn1ccc2ccc(F)c(C(C)(C)C)c21.Cn1ncc2ccc(Cl)c(C(C)(C)C)c21.
What is the InChIKey of 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
The InChIKey is LLBLXDOIUKLAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.2C14H17ClN2.C14H18ClN.C13H16ClN.2C13H16FN.2C12H15ClN2/c1-9(2)11-7-8-12-13(10(3)16-17-12)14(11)15(4,5)6;1-14(2,3)12-11(15)7-4-9-8-16-17(13(9)12)10-5-6-10;1-14(2,3)12-9(15)6-7-10-11(12)13(17-16-10)8-4-5-8;1-9-6-7-10-11(15)8-16(5)13(10)12(9)14(2,3)4;2*1-13(2,3)11-10(14)6-5-9-7-8-15(4)12(9)11;1-13(2,3)10-7-5-6-9-11(14)8-15(4)12(9)10;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10;1-7-10-9(15-14-7)6-5-8(13)11(10)12(2,3)4/h7-9H,1-6H3,(H,16,17);4,7-8,10H,5-6H2,1-3H3;6-8H,4-5H2,1-3H3,(H,16,17);6-8H,1-5H3;3*5-8H,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,14,15).
What are the key properties of 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole has a molecular weight of 2041.35 g/mol, XLogP of 36.15, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole is sourced from PubChem (CID 159382322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).