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

C22H19FN4O4 — CID 72628038

IUPAC3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ncco4)c(OC)c23)cc1F
InChIInChI=1S/C22H19FN4O4/c1-29-18-8-4-13(11-15(18)23)3-6-16-20-17(27-26-16)7-5-14(21(20)30-2)22(28)25-12-19-24-9-10-31-19/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyZRUGLPJUXSPEIG-UHFFFAOYSA-N
MW422.42 g/mol
LogP3.81
Rot. Bonds7

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

3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 72628038) has the molecular formula C22H19FN4O4 and a molecular weight of 422.42 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID72628038
Molecular FormulaC22H19FN4O4
Molecular Weight422.42 g/mol
Exact Mass422.14
IUPAC Name3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ncco4)c(OC)c23)cc1F
InChIInChI=1S/C22H19FN4O4/c1-29-18-8-4-13(11-15(18)23)3-6-16-20-17(27-26-16)7-5-14(21(20)30-2)22(28)25-12-19-24-9-10-31-19/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyZRUGLPJUXSPEIG-UHFFFAOYSA-N
XLogP3.81
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide (CID 72628038) is 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ncco4)c(OC)c23)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is ZRUGLPJUXSPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4/c1-29-18-8-4-13(11-15(18)23)3-6-16-20-17(27-26-16)7-5-14(21(20)30-2)22(28)25-12-19-24-9-10-31-19/h3-11H,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-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72628038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).