3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile

C139H164Cl2F6N26O4 — CID 162037331

About 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile

3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile (PubChem CID 162037331) has the molecular formula C139H164Cl2F6N26O4 and a molecular weight of 2447.91 g/mol. Its IUPAC name is 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile.

Molecular Properties

• Compound Name: 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile
• PubChem CID: 162037331
• Molecular Formula: C139H164Cl2F6N26O4
• Molecular Weight: 2447.91 g/mol
• Exact Mass: 2445.27
• IUPAC Name: 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile
• SMILES: CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(Cl)ccc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(Cl)cc12.CC(C)c1nn(C)c2cc(F)ccc12.CC(C)c1nn(C)c2ccc(F)cc12.CC(C)c1nn(C2COC2)c2cc(F)ccc12.CC(C)c1nn(C2COC2)c2ccc(F)cc12.CCn1nc(C(C)C)c2cc(F)ccc21.CCn1nc(C(C)C)c2ccc(F)cc21.COc1ccc2c(C(C)(C)C)[nH]nc2c1.COc1ccc2n[nH]c(C(C)C)c2c1
• InChI: InChI=1S/2C13H15FN2O.2C12H15FN2.C12H13N3.C12H16N2O.C11H13ClN2.2C11H13FN2.C11H11N3.C11H14N2O.C10H11ClN2/c1-8(2)13-11-5-9(14)3-4-12(11)16(15-13)10-6-17-7-10;1-8(2)13-11-4-3-9(14)5-12(11)16(15-13)10-6-17-7-10;1-4-15-11-6-5-9(13)7-10(11)12(14-15)8(2)3;1-4-15-11-7-9(13)5-6-10(11)12(14-15)8(2)3;1-12(2,3)11-9-5-4-8(7-13)6-10(9)14-15-11;1-12(2,3)11-9-6-5-8(15-4)7-10(9)13-14-11;1-11(2,3)10-8-5-4-7(12)6-9(8)13-14-10;1-7(2)11-9-6-8(12)4-5-10(9)14(3)13-11;1-7(2)11-9-5-4-8(12)6-10(9)14(3)13-11;1-7(2)11-9-5-8(6-12)3-4-10(9)13-14-11;1-7(2)11-9-6-8(14-3)4-5-10(9)12-13-11;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10/h2*3-5,8,10H,6-7H2,1-2H3;2*5-8H,4H2,1-3H3;4-6H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3;3-5,7H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13)
• InChIKey: YWUYXDSFIQQEHJ-UHFFFAOYSA-N
• XLogP: 35.76
• TPSA: 363.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.91
LogP ≤ 5	35.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile?

The IUPAC name of 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile (CID 162037331) is 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile.

What is the SMILES notation for 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile?

The canonical SMILES for 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile is CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(Cl)ccc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(Cl)cc12.CC(C)c1nn(C)c2cc(F)ccc12.CC(C)c1nn(C)c2ccc(F)cc12.CC(C)c1nn(C2COC2)c2cc(F)ccc12.CC(C)c1nn(C2COC2)c2ccc(F)cc12.CCn1nc(C(C)C)c2cc(F)ccc21.CCn1nc(C(C)C)c2ccc(F)cc21.COc1ccc2c(C(C)(C)C)[nH]nc2c1.COc1ccc2n[nH]c(C(C)C)c2c1.

What is the InChIKey of 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile?

The InChIKey is YWUYXDSFIQQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15FN2O.2C12H15FN2.C12H13N3.C12H16N2O.C11H13ClN2.2C11H13FN2.C11H11N3.C11H14N2O.C10H11ClN2/c1-8(2)13-11-5-9(14)3-4-12(11)16(15-13)10-6-17-7-10;1-8(2)13-11-4-3-9(14)5-12(11)16(15-13)10-6-17-7-10;1-4-15-11-6-5-9(13)7-10(11)12(14-15)8(2)3;1-4-15-11-7-9(13)5-6-10(11)12(14-15)8(2)3;1-12(2,3)11-9-5-4-8(7-13)6-10(9)14-15-11;1-12(2,3)11-9-6-5-8(15-4)7-10(9)13-14-11;1-11(2,3)10-8-5-4-7(12)6-9(8)13-14-10;1-7(2)11-9-6-8(12)4-5-10(9)14(3)13-11;1-7(2)11-9-5-4-8(12)6-10(9)14(3)13-11;1-7(2)11-9-5-8(6-12)3-4-10(9)13-14-11;1-7(2)11-9-6-8(14-3)4-5-10(9)12-13-11;1-6(2)10-8-5-7(11)3-4-9(8)12-13-10/h2*3-5,8,10H,6-7H2,1-2H3;2*5-8H,4H2,1-3H3;4-6H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3;3-5,7H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13).

What are the key properties of 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile?

3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile has a molecular weight of 2447.91 g/mol, XLogP of 35.76, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-5-fluoro-3-propan-2-ylindazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1-methyl-3-propan-2-ylindazole;6-fluoro-1-methyl-3-propan-2-ylindazole;5-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;3-propan-2-yl-2H-indazole-5-carbonitrile is sourced from PubChem (CID 162037331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).