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

C75H86Cl6F2N14 — CID 161084633

IUPAC4-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
SMILESCC(C)c1c(Cl)c(Cl)cc2[nH]ncc12.CC(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)c1c(Cl)ccc2[nH]ncc12.Cc1c(Cl)cc2[nH]ncc2c1C(C)C.Cc1cc2[nH]ncc2c(C(C)(C)C)c1F.Cc1cc2[nH]ncc2c(C(C)C)c1Cl.Cc1ccc2[nH]ncc2c1C(C)C
InChIInChI=1S/C12H15FN2.2C11H13ClN2.C11H14N2.C10H10Cl2N2.C10H10ClFN2.C10H11ClN2/c1-7-5-9-8(6-14-15-9)10(11(7)13)12(2,3)4;1-6(2)11-7(3)9(12)4-10-8(11)5-13-14-10;1-6(2)10-8-5-13-14-9(8)4-7(3)11(10)12;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;1-5(2)9-6-4-13-14-8(6)3-7(12)10(9)11;1-6(2)10-7-5-12-13-9(7)4-3-8(10)11/h5-6H,1-4H3,(H,14,15);2*4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13);2*3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13)
InChIKeyUGINVJWDTZHUBD-UHFFFAOYSA-N
MW1434.32 g/mol
LogP24.41
Rot. Bonds6

About 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

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 (PubChem CID 161084633) has the molecular formula C75H86Cl6F2N14 and a molecular weight of 1434.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID161084633
Molecular FormulaC75H86Cl6F2N14
Molecular Weight1434.32 g/mol
Exact Mass1430.53
IUPAC Name4-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
SMILESCC(C)c1c(Cl)c(Cl)cc2[nH]ncc12.CC(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)c1c(Cl)ccc2[nH]ncc12.Cc1c(Cl)cc2[nH]ncc2c1C(C)C.Cc1cc2[nH]ncc2c(C(C)(C)C)c1F.Cc1cc2[nH]ncc2c(C(C)C)c1Cl.Cc1ccc2[nH]ncc2c1C(C)C
InChIInChI=1S/C12H15FN2.2C11H13ClN2.C11H14N2.C10H10Cl2N2.C10H10ClFN2.C10H11ClN2/c1-7-5-9-8(6-14-15-9)10(11(7)13)12(2,3)4;1-6(2)11-7(3)9(12)4-10-8(11)5-13-14-10;1-6(2)10-8-5-13-14-9(8)4-7(3)11(10)12;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;1-5(2)9-6-4-13-14-8(6)3-7(12)10(9)11;1-6(2)10-7-5-12-13-9(7)4-3-8(10)11/h5-6H,1-4H3,(H,14,15);2*4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13);2*3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13)
InChIKeyUGINVJWDTZHUBD-UHFFFAOYSA-N
XLogP24.41
TPSA200.76 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001434.32
LogP ≤ 524.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-tert-butyl-6-methyl-5-propyl-1H-indazole;6-chloro-4-methyl-5-(3,3,3-trifluoropropyl)-1H-indazole;propane
CID 177150202
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
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-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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1c(Cl)c(Cl)cc2[nH]ncc12.CC(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)c1c(Cl)ccc2[nH]ncc12.Cc1c(Cl)cc2[nH]ncc2c1C(C)C.Cc1cc2[nH]ncc2c(C(C)(C)C)c1F.Cc1cc2[nH]ncc2c(C(C)C)c1Cl.Cc1ccc2[nH]ncc2c1C(C)C.
What is the InChIKey of 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?
The InChIKey is UGINVJWDTZHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2.2C11H13ClN2.C11H14N2.C10H10Cl2N2.C10H10ClFN2.C10H11ClN2/c1-7-5-9-8(6-14-15-9)10(11(7)13)12(2,3)4;1-6(2)11-7(3)9(12)4-10-8(11)5-13-14-10;1-6(2)10-8-5-13-14-9(8)4-7(3)11(10)12;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;1-5(2)9-6-4-13-14-8(6)3-7(12)10(9)11;1-6(2)10-7-5-12-13-9(7)4-3-8(10)11/h5-6H,1-4H3,(H,14,15);2*4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13);2*3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13).
What are the key properties of 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?
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 has a molecular weight of 1434.32 g/mol, XLogP of 24.41, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161084633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).