3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide

C19H23N3O2S — CID 11958423

IUPAC3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCc3cccs3)ccc2c1OCC
InChIInChI=1S/C19H23N3O2S/c1-3-11-22-19(24-4-2)16-8-7-14(13-17(16)21-22)18(23)20-10-9-15-6-5-12-25-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,23)
InChIKeyGSKMGAGLJIMSNR-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.88
Rot. Bonds8

About 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide

3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide (PubChem CID 11958423) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
PubChem CID11958423
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCCc3cccs3)ccc2c1OCC
InChIInChI=1S/C19H23N3O2S/c1-3-11-22-19(24-4-2)16-8-7-14(13-17(16)21-22)18(23)20-10-9-15-6-5-12-25-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,23)
InChIKeyGSKMGAGLJIMSNR-UHFFFAOYSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-butyl-3-ethoxyindazole-6-carboxamide
CID 11958395
N-Benzyl-2-butyl-3-ethoxy-2H-indazole-6-carboxamide
CID 11958402
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-ethylindazole-6-carboxamide
CID 11958404
2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-[2-(2-thienyl)ethyl]-
CID 11958408
2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide
CID 11958409
2-butyl-N-[(1R)-1-cyclohexylethyl]-3-ethoxyindazole-6-carboxamide
CID 11958412
3-ethoxy-2-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)indazole-6-carboxamide
CID 11958418
3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
CID 11958421
N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide
CID 11958425

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The IUPAC name of 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide (CID 11958423) is 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide is CCCn1nc2cc(C(=O)NCCc3cccs3)ccc2c1OCC.
What is the InChIKey of 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The InChIKey is GSKMGAGLJIMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-11-22-19(24-4-2)16-8-7-14(13-17(16)21-22)18(23)20-10-9-15-6-5-12-25-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,23).
What are the key properties of 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-propyl-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 11958423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).