N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide

C30H21N5O2S — CID 59024260

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C30H21N5O2S/c1-37-25-11-10-18(29-32-22-7-3-4-8-23(22)33-29)14-24(25)34-30(36)19-12-20-16-31-35-28(20)21(13-19)27-15-17-6-2-5-9-26(17)38-27/h2-16H,1H3,(H,31,35)(H,32,33)(H,34,36)
InChIKeyCFSSINXXJSXXQQ-UHFFFAOYSA-N
MW515.60 g/mol
LogP7.25
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide (PubChem CID 59024260) has the molecular formula C30H21N5O2S and a molecular weight of 515.60 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide
PubChem CID59024260
Molecular FormulaC30H21N5O2S
Molecular Weight515.60 g/mol
Exact Mass515.14
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C30H21N5O2S/c1-37-25-11-10-18(29-32-22-7-3-4-8-23(22)33-29)14-24(25)34-30(36)19-12-20-16-31-35-28(20)21(13-19)27-15-17-6-2-5-9-26(17)38-27/h2-16H,1H3,(H,31,35)(H,32,33)(H,34,36)
InChIKeyCFSSINXXJSXXQQ-UHFFFAOYSA-N
XLogP7.25
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.60
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide (CID 59024260) is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide is COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
The InChIKey is CFSSINXXJSXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5O2S/c1-37-25-11-10-18(29-32-22-7-3-4-8-23(22)33-29)14-24(25)34-30(36)19-12-20-16-31-35-28(20)21(13-19)27-15-17-6-2-5-9-26(17)38-27/h2-16H,1H3,(H,31,35)(H,32,33)(H,34,36).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide has a molecular weight of 515.60 g/mol, XLogP of 7.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-7-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 59024260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).