[2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate

C₁₁₅H₉₆N₂₂O₁₁S₅ — CID 158028410

About [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 158028410) has the molecular formula C₁₁₅H₉₆N₂₂O₁₁S₅ and a molecular weight of 2122.51 g/mol. Its IUPAC name is [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 158028410
• Molecular Formula: C₁₁₅H₉₆N₂₂O₁₁S₅
• Molecular Weight: 2122.51 g/mol
• Exact Mass: 2120.62
• IUPAC Name: [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: CCC(C)CNc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCC4CCOC4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCCc4ccccc4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCc4ccccn4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCc4cccnc4)cc32)n1
• InChI: InChI=1S/C25H20N4O2S.2C23H17N5O2S.C22H20N4O3S.C22H22N4O2S/c30-17-31-23-16-32-25(27-23)29-22-15-20(26-14-13-18-7-3-1-4-8-18)11-12-21(22)24(28-29)19-9-5-2-6-10-19;29-15-30-21-14-31-23(26-21)28-20-11-18(25-13-16-5-4-10-24-12-16)8-9-19(20)22(27-28)17-6-2-1-3-7-17;29-15-30-21-14-31-23(26-21)28-20-12-17(25-13-18-8-4-5-11-24-18)9-10-19(20)22(27-28)16-6-2-1-3-7-16;27-14-29-20-13-30-22(24-20)26-19-10-17(23-11-15-8-9-28-12-15)6-7-18(19)21(25-26)16-4-2-1-3-5-16;1-3-15(2)12-23-17-9-10-18-19(11-17)26(22-24-20(13-29-22)28-14-27)25-21(18)16-7-5-4-6-8-16/h1-12,15-17,26H,13-14H2;2*1-12,14-15,25H,13H2;1-7,10,13-15,23H,8-9,11-12H2;4-11,13-15,23H,3,12H2,1-2H3
• InChIKey: FGWPJKASEUVTIK-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 380.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.51
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The IUPAC name of [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 158028410) is [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate.

What is the SMILES notation for [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The canonical SMILES for [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate is CCC(C)CNc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCC4CCOC4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCCc4ccccc4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCc4ccccn4)cc32)n1.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(NCc4cccnc4)cc32)n1.

What is the InChIKey of [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate?

The InChIKey is FGWPJKASEUVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S.2C23H17N5O2S.C22H20N4O3S.C22H22N4O2S/c30-17-31-23-16-32-25(27-23)29-22-15-20(26-14-13-18-7-3-1-4-8-18)11-12-21(22)24(28-29)19-9-5-2-6-10-19;29-15-30-21-14-31-23(26-21)28-20-11-18(25-13-16-5-4-10-24-12-16)8-9-19(20)22(27-28)17-6-2-1-3-7-17;29-15-30-21-14-31-23(26-21)28-20-12-17(25-13-18-8-4-5-11-24-18)9-10-19(20)22(27-28)16-6-2-1-3-7-16;27-14-29-20-13-30-22(24-20)26-19-10-17(23-11-15-8-9-28-12-15)6-7-18(19)21(25-26)16-4-2-1-3-5-16;1-3-15(2)12-23-17-9-10-18-19(11-17)26(22-24-20(13-29-22)28-14-27)25-21(18)16-7-5-4-6-8-16/h1-12,15-17,26H,13-14H2;2*1-12,14-15,25H,13H2;1-7,10,13-15,23H,8-9,11-12H2;4-11,13-15,23H,3,12H2,1-2H3.

What are the key properties of [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate?

[2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 2122.51 g/mol, XLogP of 24.00, 37 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-(2-methylbutylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[6-(oxolan-3-ylmethylamino)-3-phenylindazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(2-phenylethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-2-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-(pyridin-3-ylmethylamino)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 158028410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158028410 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.