7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide

C30H20N4O2S — CID 59024186

IUPAC7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5cc6ccccc6s5)c5[nH]ncc5c4)cc3)oc2c1
InChIInChI=1S/C30H20N4O2S/c1-17-6-11-24-25(12-17)36-30(33-24)18-7-9-22(10-8-18)32-29(35)20-13-21-16-31-34-28(21)23(14-20)27-15-19-4-2-3-5-26(19)37-27/h2-16H,1H3,(H,31,34)(H,32,35)
InChIKeyRVWONVJECPGYOU-UHFFFAOYSA-N
MW500.58 g/mol
LogP7.81
Rot. Bonds4

About 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide

7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide (PubChem CID 59024186) has the molecular formula C30H20N4O2S and a molecular weight of 500.58 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide
PubChem CID59024186
Molecular FormulaC30H20N4O2S
Molecular Weight500.58 g/mol
Exact Mass500.13
IUPAC Name7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5cc6ccccc6s5)c5[nH]ncc5c4)cc3)oc2c1
InChIInChI=1S/C30H20N4O2S/c1-17-6-11-24-25(12-17)36-30(33-24)18-7-9-22(10-8-18)32-29(35)20-13-21-16-31-34-28(21)23(14-20)27-15-19-4-2-3-5-26(19)37-27/h2-16H,1H3,(H,31,34)(H,32,35)
InChIKeyRVWONVJECPGYOU-UHFFFAOYSA-N
XLogP7.81
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.58
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide (CID 59024186) is 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5cc6ccccc6s5)c5[nH]ncc5c4)cc3)oc2c1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is RVWONVJECPGYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O2S/c1-17-6-11-24-25(12-17)36-30(33-24)18-7-9-22(10-8-18)32-29(35)20-13-21-16-31-34-28(21)23(14-20)27-15-19-4-2-3-5-26(19)37-27/h2-16H,1H3,(H,31,34)(H,32,35).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide?
7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 7.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-yl)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59024186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).