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

C20H17N3O2S — CID 23589779

IUPAC3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC1CC1
InChIInChI=1S/C20H17N3O2S/c1-25-16-10-15-13(9-14(16)20(24)21-12-6-7-12)19(23-22-15)18-8-11-4-2-3-5-17(11)26-18/h2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyCXLVXJQKSOPRCH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.35
Rot. Bonds4

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

3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589779) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide
PubChem CID23589779
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC1CC1
InChIInChI=1S/C20H17N3O2S/c1-25-16-10-15-13(9-14(16)20(24)21-12-6-7-12)19(23-22-15)18-8-11-4-2-3-5-17(11)26-18/h2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyCXLVXJQKSOPRCH-UHFFFAOYSA-N
XLogP4.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide (CID 23589779) is 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NC1CC1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is CXLVXJQKSOPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-25-16-10-15-13(9-14(16)20(24)21-12-6-7-12)19(23-22-15)18-8-11-4-2-3-5-17(11)26-18/h2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).