N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide

C20H19N3O2S — CID 142179047

IUPACN-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cc4c(s3)CCC=C4)c12
InChIInChI=1S/C20H19N3O2S/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/h2,4,8-11H,3,5-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyVKKNOXCCHCXKAN-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.61
Rot. Bonds4

About N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide

N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide (PubChem CID 142179047) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
PubChem CID142179047
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
SMILESCOc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cc4c(s3)CCC=C4)c12
InChIInChI=1S/C20H19N3O2S/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/h2,4,8-11H,3,5-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyVKKNOXCCHCXKAN-UHFFFAOYSA-N
XLogP4.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 22260787
N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
CID 23589899
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
CID 23589902
N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 60034744
N-[6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 60035149
N-[6-fluoro-3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 68932383
N-[6-fluoro-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 68936634
N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 142179186
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide
CID 22260643
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide
CID 22260716
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-(dimethylamino)propanamide
CID 22260824
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
CID 22260908

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide (CID 142179047) is N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide is COc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3cc4c(s3)CCC=C4)c12.
What is the InChIKey of N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
The InChIKey is VKKNOXCCHCXKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/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/h2,4,8-11H,3,5-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide?
N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142179047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).