7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate

C65H48N8O4S2 — CID 159254496

IUPAC7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(NC(=O)c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)cc2)cc2ccccc21.O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C35H28N4O3S.C30H20N4OS/c1-35(2,3)42-34(41)39-28-10-6-4-8-22(28)18-29(39)21-12-14-26(15-13-21)37-33(40)24-16-25-20-36-38-32(25)27(17-24)31-19-23-9-5-7-11-30(23)43-31;35-30(32-23-11-9-18(10-12-23)26-15-19-5-1-3-7-25(19)33-26)21-13-22-17-31-34-29(22)24(14-21)28-16-20-6-2-4-8-27(20)36-28/h4-20H,1-3H3,(H,36,38)(H,37,40);1-17,33H,(H,31,34)(H,32,35)
InChIKeyKVSGNQKSRUXKEK-UHFFFAOYSA-N
MW1069.29 g/mol
LogP16.95
Rot. Bonds8

About 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate

7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate (PubChem CID 159254496) has the molecular formula C65H48N8O4S2 and a molecular weight of 1069.29 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate
PubChem CID159254496
Molecular FormulaC65H48N8O4S2
Molecular Weight1069.29 g/mol
Exact Mass1068.32
IUPAC Name7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(NC(=O)c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)cc2)cc2ccccc21.O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C35H28N4O3S.C30H20N4OS/c1-35(2,3)42-34(41)39-28-10-6-4-8-22(28)18-29(39)21-12-14-26(15-13-21)37-33(40)24-16-25-20-36-38-32(25)27(17-24)31-19-23-9-5-7-11-30(23)43-31;35-30(32-23-11-9-18(10-12-23)26-15-19-5-1-3-7-25(19)33-26)21-13-22-17-31-34-29(22)24(14-21)28-16-20-6-2-4-8-27(20)36-28/h4-20H,1-3H3,(H,36,38)(H,37,40);1-17,33H,(H,31,34)(H,32,35)
InChIKeyKVSGNQKSRUXKEK-UHFFFAOYSA-N
XLogP16.95
TPSA162.58 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.29
LogP ≤ 516.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate (CID 159254496) is 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2ccc(NC(=O)c3cc(-c4cc5ccccc5s4)c4[nH]ncc4c3)cc2)cc2ccccc21.O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate?
The InChIKey is KVSGNQKSRUXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4O3S.C30H20N4OS/c1-35(2,3)42-34(41)39-28-10-6-4-8-22(28)18-29(39)21-12-14-26(15-13-21)37-33(40)24-16-25-20-36-38-32(25)27(17-24)31-19-23-9-5-7-11-30(23)43-31;35-30(32-23-11-9-18(10-12-23)26-15-19-5-1-3-7-25(19)33-26)21-13-22-17-31-34-29(22)24(14-21)28-16-20-6-2-4-8-27(20)36-28/h4-20H,1-3H3,(H,36,38)(H,37,40);1-17,33H,(H,31,34)(H,32,35).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate?
7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate has a molecular weight of 1069.29 g/mol, XLogP of 16.95, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-yl)-N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide;tert-butyl 2-[4-[[7-(1-benzothiophen-2-yl)-1H-indazole-5-carbonyl]amino]phenyl]indole-1-carboxylate is sourced from PubChem (CID 159254496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).