3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide

C21H17N3O4S — CID 23589763

IUPAC3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC1CCOC1=O
InChIInChI=1S/C21H17N3O4S/c1-27-16-10-15-12(9-13(16)20(25)22-14-6-7-28-21(14)26)19(24-23-15)18-8-11-4-2-3-5-17(11)29-18/h2-5,8-10,14H,6-7H2,1H3,(H,22,25)(H,23,24)
InChIKeyAOEGZFYZNZFQRL-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.50
Rot. Bonds4

About 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide (PubChem CID 23589763) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide
PubChem CID23589763
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC1CCOC1=O
InChIInChI=1S/C21H17N3O4S/c1-27-16-10-15-12(9-13(16)20(25)22-14-6-7-28-21(14)26)19(24-23-15)18-8-11-4-2-3-5-17(11)29-18/h2-5,8-10,14H,6-7H2,1H3,(H,22,25)(H,23,24)
InChIKeyAOEGZFYZNZFQRL-UHFFFAOYSA-N
XLogP3.50
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide (CID 23589763) is 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC1CCOC1=O.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide?
The InChIKey is AOEGZFYZNZFQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-27-16-10-15-12(9-13(16)20(25)22-14-6-7-28-21(14)26)19(24-23-15)18-8-11-4-2-3-5-17(11)29-18/h2-5,8-10,14H,6-7H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).