4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C21H18N4O2S — CID 72564531

IUPAC4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3cccnc3)c12
InChIInChI=1S/C21H18N4O2S/c1-27-20-16(21(26)23-13-15-5-3-11-28-15)7-9-18-19(20)17(24-25-18)8-6-14-4-2-10-22-12-14/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyDKTXJIZWULDPSB-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.13
Rot. Bonds6

About 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72564531) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72564531
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3cccnc3)c12
InChIInChI=1S/C21H18N4O2S/c1-27-20-16(21(26)23-13-15-5-3-11-28-15)7-9-18-19(20)17(24-25-18)8-6-14-4-2-10-22-12-14/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyDKTXJIZWULDPSB-UHFFFAOYSA-N
XLogP4.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[[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
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034610

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72564531) is 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(C=Cc3cccnc3)c12.
What is the InChIKey of 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is DKTXJIZWULDPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-20-16(21(26)23-13-15-5-3-11-28-15)7-9-18-19(20)17(24-25-18)8-6-14-4-2-10-22-12-14/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-pyridin-3-ylethenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72564531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).