tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C146H92ClN25O7S5 — CID 157064055

About tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 157064055) has the molecular formula C146H92ClN25O7S5 and a molecular weight of 2504.30 g/mol. Its IUPAC name is tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 157064055
• Molecular Formula: C146H92ClN25O7S5
• Molecular Weight: 2504.30 g/mol
• Exact Mass: 2501.59
• IUPAC Name: tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: C.C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2csc(-n3nc(Cl)c4ccccc43)n2)CC1.Cc1cc(Nc2nn(-c3nc(C(=O)Nc4cnccc4N4CCN(C(=O)OC(C)(C)C)CC4)cs3)c3ccccc23)sn1.Cc1cc(Nc2nn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c3ccccc23)sn1
• InChI: InChI=1S/C66H4.C29H31N9O3S2.C25H26ClN7O3S.C24H23N9OS2.2CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-15-24(43-35-18)33-25-19-7-5-6-8-22(19)38(34-25)27-32-21(17-42-27)26(39)31-20-16-30-10-9-23(20)36-11-13-37(14-12-36)28(40)41-29(2,3)4;1-25(2,3)36-24(35)32-12-10-31(11-13-32)20-8-9-27-14-17(20)28-22(34)18-15-37-23(29-18)33-19-7-5-4-6-16(19)21(26)30-33;1-15-12-21(36-31-15)29-22-16-4-2-3-5-19(16)33(30-22)24-28-18(14-35-24)23(34)27-17-13-26-7-6-20(17)32-10-8-25-9-11-32;;/h1-2H2;5-10,15-17H,11-14H2,1-4H3,(H,31,39)(H,33,34);4-9,14-15H,10-13H2,1-3H3,(H,28,34);2-7,12-14,25H,8-11H2,1H3,(H,27,34)(H,29,30);2*1H4
• InChIKey: ABQXSOMHBIDYOU-UHFFFAOYSA-N
• XLogP: 26.58
• TPSA: 348.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2504.30
LogP ≤ 5	26.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 157064055) is tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is C.C.C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C.CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2csc(-n3nc(Cl)c4ccccc43)n2)CC1.Cc1cc(Nc2nn(-c3nc(C(=O)Nc4cnccc4N4CCN(C(=O)OC(C)(C)C)CC4)cs3)c3ccccc23)sn1.Cc1cc(Nc2nn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c3ccccc23)sn1.

What is the InChIKey of tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is ABQXSOMHBIDYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H4.C29H31N9O3S2.C25H26ClN7O3S.C24H23N9OS2.2CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-18-15-24(43-35-18)33-25-19-7-5-6-8-22(19)38(34-25)27-32-21(17-42-27)26(39)31-20-16-30-10-9-23(20)36-11-13-37(14-12-36)28(40)41-29(2,3)4;1-25(2,3)36-24(35)32-12-10-31(11-13-32)20-8-9-27-14-17(20)28-22(34)18-15-37-23(29-18)33-19-7-5-4-6-16(19)21(26)30-33;1-15-12-21(36-31-15)29-22-16-4-2-3-5-19(16)33(30-22)24-28-18(14-35-24)23(34)27-17-13-26-7-6-20(17)32-10-8-25-9-11-32;;/h1-2H2;5-10,15-17H,11-14H2,1-4H3,(H,31,39)(H,33,34);4-9,14-15H,10-13H2,1-3H3,(H,28,34);2-7,12-14,25H,8-11H2,1H3,(H,27,34)(H,29,30);2*1H4.

What are the key properties of tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2504.30 g/mol, XLogP of 26.58, 16 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).