4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole

C88H116F2N14 — CID 164968999

IUPAC4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole
SMILESCC(C)(C)c1c(F)ccc2cn[nH]c12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2cnn(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C3CC3)c2c1C(C)(C)C.Cn1ncc2ccc(F)c(C(C)(C)C)c21
InChIInChI=1S/C15H20N2.2C13H18N2.C12H15FN2.2C12H16N2.C11H13FN2/c1-9-5-8-11-12(13(9)15(2,3)4)14(17-16-11)10-6-7-10;1-9-6-7-10-8-14-15(5)12(10)11(9)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9/h5,8,10H,6-7H2,1-4H3,(H,16,17);6-8H,1-5H3;6-7H,1-5H3,(H,14,15);5-7H,1-4H3;2*5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14)
InChIKeyCWBYJPRUWSQVQS-UHFFFAOYSA-N
MW1407.99 g/mol
LogP23.05
Rot. Bonds1

About 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole

4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole (PubChem CID 164968999) has the molecular formula C88H116F2N14 and a molecular weight of 1407.99 g/mol. Its IUPAC name is 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole.

Molecular Properties

Compound Name4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole
PubChem CID164968999
Molecular FormulaC88H116F2N14
Molecular Weight1407.99 g/mol
Exact Mass1406.95
IUPAC Name4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole
SMILESCC(C)(C)c1c(F)ccc2cn[nH]c12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2cnn(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C3CC3)c2c1C(C)(C)C.Cn1ncc2ccc(F)c(C(C)(C)C)c21
InChIInChI=1S/C15H20N2.2C13H18N2.C12H15FN2.2C12H16N2.C11H13FN2/c1-9-5-8-11-12(13(9)15(2,3)4)14(17-16-11)10-6-7-10;1-9-6-7-10-8-14-15(5)12(10)11(9)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9/h5,8,10H,6-7H2,1-4H3,(H,16,17);6-8H,1-5H3;6-7H,1-5H3,(H,14,15);5-7H,1-4H3;2*5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14)
InChIKeyCWBYJPRUWSQVQS-UHFFFAOYSA-N
XLogP23.05
TPSA179.04 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001407.99
LogP ≤ 523.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole?
The IUPAC name of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole (CID 164968999) is 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole.
What is the SMILES notation for 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole?
The canonical SMILES for 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole is CC(C)(C)c1c(F)ccc2cn[nH]c12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2cnn(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C3CC3)c2c1C(C)(C)C.Cn1ncc2ccc(F)c(C(C)(C)C)c21.
What is the InChIKey of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole?
The InChIKey is CWBYJPRUWSQVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.2C13H18N2.C12H15FN2.2C12H16N2.C11H13FN2/c1-9-5-8-11-12(13(9)15(2,3)4)14(17-16-11)10-6-7-10;1-9-6-7-10-8-14-15(5)12(10)11(9)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9/h5,8,10H,6-7H2,1-4H3,(H,16,17);6-8H,1-5H3;6-7H,1-5H3,(H,14,15);5-7H,1-4H3;2*5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14).
What are the key properties of 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole?
4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole has a molecular weight of 1407.99 g/mol, XLogP of 23.05, 1 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-6-fluoro-1H-indazole;7-tert-butyl-6-fluoro-1-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole is sourced from PubChem (CID 164968999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).