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

C23H20FN3O3S — CID 72628374

IUPAC3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccsc4)c(OC)c23)cc1F
InChIInChI=1S/C23H20FN3O3S/c1-29-20-8-4-14(11-17(20)24)3-6-18-21-19(27-26-18)7-5-16(22(21)30-2)23(28)25-12-15-9-10-31-13-15/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXZEHUISVAIGGEF-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.88
Rot. Bonds7

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

3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628374) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628374
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccsc4)c(OC)c23)cc1F
InChIInChI=1S/C23H20FN3O3S/c1-29-20-8-4-14(11-17(20)24)3-6-18-21-19(27-26-18)7-5-16(22(21)30-2)23(28)25-12-15-9-10-31-13-15/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXZEHUISVAIGGEF-UHFFFAOYSA-N
XLogP4.88
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide (CID 72628374) is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccsc4)c(OC)c23)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is XZEHUISVAIGGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-29-20-8-4-14(11-17(20)24)3-6-18-21-19(27-26-18)7-5-16(22(21)30-2)23(28)25-12-15-9-10-31-13-15/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).