N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide

C48H49Cl4N13O6S — CID 129308358

About N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide (PubChem CID 129308358) has the molecular formula C48H49Cl4N13O6S and a molecular weight of 1077.88 g/mol. Its IUPAC name is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 129308358
• Molecular Formula: C48H49Cl4N13O6S
• Molecular Weight: 1077.88 g/mol
• Exact Mass: 1075.24
• IUPAC Name: N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide
• SMILES: CCN1CCN(c2cnc(C(=O)N(CN(C)CCNc3cc(C(=O)Nc4n[nH]c5cc(-c6c(Cl)c(OC)cc(OC)c6Cl)ccc45)[nH]n3)c3n[nH]c4cc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)s2)CC1
• InChI: InChI=1S/C48H49Cl4N13O6S/c1-7-63-14-16-64(17-15-63)37-23-54-47(72-37)48(67)65(45-28-11-9-26(19-30(28)57-61-45)39-42(51)34(70-5)22-35(71-6)43(39)52)24-62(2)13-12-53-36-20-31(58-59-36)46(66)55-44-27-10-8-25(18-29(27)56-60-44)38-40(49)32(68-3)21-33(69-4)41(38)50/h8-11,18-23H,7,12-17,24H2,1-6H3,(H,57,61)(H2,53,58,59)(H2,55,56,60,66)
• InChIKey: IRXLXATXUAZVTM-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 207.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.88
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide (CID 129308358) is N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide is CCN1CCN(c2cnc(C(=O)N(CN(C)CCNc3cc(C(=O)Nc4n[nH]c5cc(-c6c(Cl)c(OC)cc(OC)c6Cl)ccc45)[nH]n3)c3n[nH]c4cc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)s2)CC1.

What is the InChIKey of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide?

The InChIKey is IRXLXATXUAZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49Cl4N13O6S/c1-7-63-14-16-64(17-15-63)37-23-54-47(72-37)48(67)65(45-28-11-9-26(19-30(28)57-61-45)39-42(51)34(70-5)22-35(71-6)43(39)52)24-62(2)13-12-53-36-20-31(58-59-36)46(66)55-44-27-10-8-25(18-29(27)56-60-44)38-40(49)32(68-3)21-33(69-4)41(38)50/h8-11,18-23H,7,12-17,24H2,1-6H3,(H,57,61)(H2,53,58,59)(H2,55,56,60,66).

What are the key properties of N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide?

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 1077.88 g/mol, XLogP of 9.64, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]-N-[[2-[[5-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-indazol-3-yl]carbamoyl]-1H-pyrazol-3-yl]amino]ethyl-methylamino]methyl]-5-(4-ethylpiperazin-1-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 129308358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).