N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide

C20H17N3O2S — CID 23589923

IUPACN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C20H17N3O2S/c1-25-19-14(21-20(24)11-6-7-11)9-8-13-17(19)18(23-22-13)16-10-12-4-2-3-5-15(12)26-16/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeySMUYYZSOQMQCHC-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.80
Rot. Bonds4

About N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide

N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide (PubChem CID 23589923) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
PubChem CID23589923
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C20H17N3O2S/c1-25-19-14(21-20(24)11-6-7-11)9-8-13-17(19)18(23-22-13)16-10-12-4-2-3-5-15(12)26-16/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeySMUYYZSOQMQCHC-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide (CID 23589923) is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide is COc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The InChIKey is SMUYYZSOQMQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-25-19-14(21-20(24)11-6-7-11)9-8-13-17(19)18(23-22-13)16-10-12-4-2-3-5-15(12)26-16/h2-5,8-11H,6-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 23589923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).