3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C23H20N4O3S — CID 72628229

IUPAC3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3ccc(C(C)=O)nc3)c12
InChIInChI=1S/C23H20N4O3S/c1-14(28)18-8-5-15(12-24-18)6-9-19-21-20(27-26-19)10-7-17(22(21)30-2)23(29)25-13-16-4-3-11-31-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyLLMFUUIFHLDGSN-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.33
Rot. Bonds7

About 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628229) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628229
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3ccc(C(C)=O)nc3)c12
InChIInChI=1S/C23H20N4O3S/c1-14(28)18-8-5-15(12-24-18)6-9-19-21-20(27-26-19)10-7-17(22(21)30-2)23(29)25-13-16-4-3-11-31-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyLLMFUUIFHLDGSN-UHFFFAOYSA-N
XLogP4.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-6-methoxy-3-(1-methylpyrazol-4-yl)-1H-indazole-5-carboxamide
CID 156198938
3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 23589680
3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 23589684
3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(2-hydroxy-1-phenylethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 57584837
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-1H-indazole-5-carboxamide
CID 60034595
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034610
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034616
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034617
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-1H-indazole-5-carboxamide
CID 60034634
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60034643
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-1-pyridin-3-ylethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 60034648
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 60034708

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628229) is 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3ccc(C(C)=O)nc3)c12.
What is the InChIKey of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is LLMFUUIFHLDGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-14(28)18-8-5-15(12-24-18)6-9-19-21-20(27-26-19)10-7-17(22(21)30-2)23(29)25-13-16-4-3-11-31-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).