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

C22H20N4O3S — CID 72564615

IUPAC4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cn1
InChIInChI=1S/C22H20N4O3S/c1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyILLIFKRJMIWPPZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.14
Rot. Bonds7

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

4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72564615) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72564615
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cn1
InChIInChI=1S/C22H20N4O3S/c1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyILLIFKRJMIWPPZ-UHFFFAOYSA-N
XLogP4.14
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methylsulfonyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide
CID 22978197
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 124085686
N-(2,6-dimethylphenyl)-6-methoxy-3-(1-methylpyrazol-4-yl)-1H-indazole-5-carboxamide
CID 156198938
N-(3-methoxyphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134134451
N-[2-(2-methoxyphenyl)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134145148
N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260765
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-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591354
N-[3-(2,6-dimethylphenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 57410295
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72564615) is 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccs4)c(OC)c23)cn1.
What is the InChIKey of 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is ILLIFKRJMIWPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-28-19-10-6-14(12-23-19)5-8-17-20-18(26-25-17)9-7-16(21(20)29-2)22(27)24-13-15-4-3-11-30-15/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(6-methoxy-3-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72564615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).