3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine

C158H181ClF5N35O4 — CID 160840336

About 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine

3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 160840336) has the molecular formula C158H181ClF5N35O4 and a molecular weight of 2764.87 g/mol. Its IUPAC name is 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
• PubChem CID: 160840336
• Molecular Formula: C158H181ClF5N35O4
• Molecular Weight: 2764.87 g/mol
• Exact Mass: 2762.46
• IUPAC Name: 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
• SMILES: CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(F)c(F)cc12.CC(C)(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2cc(C#N)ccc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(Cl)cc12.CC(C)c1[nH]nc2ccncc12.CC(C)c1nn(C2COC2)c2cc(F)ccc12.CC(C)c1nn(C2COC2)c2ccc(F)cc12.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.C12H15FN2.2C12H13N3.C12H16N2O.C11H12F2N2.3C11H11N3.C11H14N2O.C10H11ClN2.C10H13N3.C9H11N3/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;1-4-15-11-7-9(13)5-6-10(11)12(14-15)8(2)3;2*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)10-6-4-7(12)8(13)5-9(6)14-15-10;2*1-7(2)11-9-5-8(6-12)3-4-10(9)13-14-11;1-7(2)11-9-4-3-8(6-12)5-10(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;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-6(2)9-7-5-10-4-3-8(7)11-12-9/h2*3-5,8,10H,6-7H2,1-2H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);4-5H,1-3H3,(H,14,15);3*3-5,7H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13);4-6H,1-3H3,(H,12,13);3-6H,1-2H3,(H,11,12)
• InChIKey: SHYGNDMAEVXUQI-UHFFFAOYSA-N
• XLogP: 38.58
• TPSA: 550.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2764.87
LogP ≤ 5	38.58
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine (CID 160840336) is 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine is CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(C#N)ccc12.CC(C)(C)c1[nH]nc2cc(F)c(F)cc12.CC(C)(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2cc(C#N)ccc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(C#N)cc12.CC(C)c1[nH]nc2ccc(Cl)cc12.CC(C)c1[nH]nc2ccncc12.CC(C)c1nn(C2COC2)c2cc(F)ccc12.CC(C)c1nn(C2COC2)c2ccc(F)cc12.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-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?

The InChIKey is SHYGNDMAEVXUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15FN2O.C12H15FN2.2C12H13N3.C12H16N2O.C11H12F2N2.3C11H11N3.C11H14N2O.C10H11ClN2.C10H13N3.C9H11N3/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;1-4-15-11-7-9(13)5-6-10(11)12(14-15)8(2)3;2*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)10-6-4-7(12)8(13)5-9(6)14-15-10;2*1-7(2)11-9-5-8(6-12)3-4-10(9)13-14-11;1-7(2)11-9-4-3-8(6-12)5-10(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;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-6(2)9-7-5-10-4-3-8(7)11-12-9/h2*3-5,8,10H,6-7H2,1-2H3;5-8H,4H2,1-3H3;2*4-6H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);4-5H,1-3H3,(H,14,15);3*3-5,7H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13);4-6H,1-3H3,(H,12,13);3-6H,1-2H3,(H,11,12).

What are the key properties of 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?

3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 2764.87 g/mol, XLogP of 38.58, 14 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-5,6-difluoro-2H-indazole;bis(3-tert-butyl-2H-indazole-6-carbonitrile);3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-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;bis(3-propan-2-yl-2H-indazole-5-carbonitrile);3-propan-2-yl-2H-indazole-6-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 160840336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).