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)

C66H80Cl3FN12 — CID 160927870

IUPAC6-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)
SMILESCC(C)c1c(Cl)c(Cl)cc2[nH]ncc12.Cc1c(Cl)cc2[nH]ncc2c1C(C)C.Cc1c(F)cc2[nH]ncc2c1C(C)C.Cc1cc2[nH]ncc2c(C(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)C.Cc1ccc2[nH]ncc2c1C(C)C
InChIInChI=1S/C12H16N2.C11H13ClN2.C11H13FN2.2C11H14N2.C10H10Cl2N2/c1-7(2)12-9(4)8(3)5-11-10(12)6-13-14-11;2*1-6(2)11-7(3)9(12)4-10-8(11)5-13-14-10;2*1-7(2)11-8(3)4-5-10-9(11)6-12-13-10;1-5(2)9-6-4-13-14-8(6)3-7(11)10(9)12/h5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13);3-5H,1-2H3,(H,13,14)
InChIKeySSWMNIXWDWSDOH-UHFFFAOYSA-N
MW1166.81 g/mol
LogP20.07
Rot. Bonds6

About 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)

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) (PubChem CID 160927870) has the molecular formula C66H80Cl3FN12 and a molecular weight of 1166.81 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name6-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)
PubChem CID160927870
Molecular FormulaC66H80Cl3FN12
Molecular Weight1166.81 g/mol
Exact Mass1164.57
IUPAC Name6-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)
SMILESCC(C)c1c(Cl)c(Cl)cc2[nH]ncc12.Cc1c(Cl)cc2[nH]ncc2c1C(C)C.Cc1c(F)cc2[nH]ncc2c1C(C)C.Cc1cc2[nH]ncc2c(C(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)C.Cc1ccc2[nH]ncc2c1C(C)C
InChIInChI=1S/C12H16N2.C11H13ClN2.C11H13FN2.2C11H14N2.C10H10Cl2N2/c1-7(2)12-9(4)8(3)5-11-10(12)6-13-14-11;2*1-6(2)11-7(3)9(12)4-10-8(11)5-13-14-10;2*1-7(2)11-8(3)4-5-10-9(11)6-12-13-10;1-5(2)9-6-4-13-14-8(6)3-7(11)10(9)12/h5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13);3-5H,1-2H3,(H,13,14)
InChIKeySSWMNIXWDWSDOH-UHFFFAOYSA-N
XLogP20.07
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.81
LogP ≤ 520.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 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) 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

4-tert-butyl-5-chloro-1H-indazole;bis(4-tert-butyl-5,6-dimethyl-1H-indazole);4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-(trifluoromethyl)-1H-indazole
CID 159495345
5-chloro-6-fluoro-3-propan-2-yl-2H-indazole;6-chloro-5-fluoro-3-propan-2-yl-2H-indazole;6-chloro-3-propan-2-yl-2H-indazole;7-chloro-3-propan-2-yl-2H-indazole;4-fluoro-7-methyl-3-propan-2-yl-2H-indazole;6-fluoro-3-propan-2-yl-2H-indazole;7-fluoro-3-propan-2-yl-2H-indazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole;3-propan-2-yl-6-(trifluoromethyl)-2H-indazole
CID 161171786
8-tert-butyl-1-chloro-2-fluoronaphthalene;4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-8-chloronaphthalene;4-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-chloro-3-propan-2-yl-2-(trifluoromethyl)benzene;1,8-dimethylnaphthalene;1,3-di(propan-2-yl)benzene;ethane;1-fluoro-8-propan-2-ylnaphthalene;1-methylnaphthalene;tris(1-methyl-8-propan-2-ylnaphthalene);4-propan-2-yl-1H-indazole;1-propan-2-ylnaphthalene;1-propan-2-yl-8-(trideuteriomethyl)naphthalene
CID 164964699
8-tert-butyl-1-chloro-2-fluoronaphthalene;4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-2-cyclopropylbenzene;4-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-2-(trifluoromethyl)benzene;1-chloro-3-propan-2-yl-2-(trifluoromethyl)benzene;1,8-dimethylnaphthalene;1,3-di(propan-2-yl)benzene;ethane;1-fluoro-8-propan-2-ylnaphthalene;1-methylnaphthalene;tris(1-methyl-8-propan-2-ylnaphthalene);4-propan-2-yl-1H-indazole;1-propan-2-ylnaphthalene;1-propan-2-yl-8-(trideuteriomethyl)naphthalene
CID 165074484
4-chloro-5-(5-chloro-1H-indazol-3-yl)-6-(6-chloro-1H-indazol-3-yl)-1H-indazole
CID 123491611
4-chloro-5-propan-2-yl-1H-indazole;4-cyclopropyl-5-propan-2-yl-1H-indazole;4-ethyl-5-propan-2-yl-1H-indazole;4-fluoro-5-propan-2-yl-1H-indazole;6-fluoro-5-propan-2-yl-1H-indazole;3-methyl-5-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole
CID 157411304
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
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
4-tert-butyl-5-fluoro-6-methyl-1H-indazole;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 161084633
bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)
CID 161168467
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-fluoro-6-methyl-4-propan-2-yl-1H-indazole;5-methyl-4-propan-2-yl-1H-indazole
CID 161483498

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)c1c(Cl)c(Cl)cc2[nH]ncc12.Cc1c(Cl)cc2[nH]ncc2c1C(C)C.Cc1c(F)cc2[nH]ncc2c1C(C)C.Cc1cc2[nH]ncc2c(C(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)C.Cc1ccc2[nH]ncc2c1C(C)C.
What is the InChIKey of 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)?
The InChIKey is SSWMNIXWDWSDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C11H13ClN2.C11H13FN2.2C11H14N2.C10H10Cl2N2/c1-7(2)12-9(4)8(3)5-11-10(12)6-13-14-11;2*1-6(2)11-7(3)9(12)4-10-8(11)5-13-14-10;2*1-7(2)11-8(3)4-5-10-9(11)6-12-13-10;1-5(2)9-6-4-13-14-8(6)3-7(11)10(9)12/h5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13);3-5H,1-2H3,(H,13,14).
What are the key properties of 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)?
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) has a molecular weight of 1166.81 g/mol, XLogP of 20.07, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 160927870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).