3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

C23H18F2N4O2 — CID 91448105

IUPAC3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12
InChIInChI=1S/C23H18F2N4O2/c1-31-22-17(23(30)27-13-14-3-2-10-26-12-14)7-9-20-21(22)19(28-29-20)8-5-15-4-6-16(24)11-18(15)25/h2-12H,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyRQDKZIARDOQSGC-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.35
Rot. Bonds6

About 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 91448105) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID91448105
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12
InChIInChI=1S/C23H18F2N4O2/c1-31-22-17(23(30)27-13-14-3-2-10-26-12-14)7-9-20-21(22)19(28-29-20)8-5-15-4-6-16(24)11-18(15)25/h2-12H,13H2,1H3,(H,27,30)(H,28,29)
InChIKeyRQDKZIARDOQSGC-UHFFFAOYSA-N
XLogP4.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-2-(2-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796995
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91456024
3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91235662
3-[2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628063
2-(2,4-difluorophenyl)-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide
CID 23936227
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(2-iminoethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 142836253
N-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide
CID 157255865
N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68935587
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 173122854
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (CID 91448105) is 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is RQDKZIARDOQSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-31-22-17(23(30)27-13-14-3-2-10-26-12-14)7-9-20-21(22)19(28-29-20)8-5-15-4-6-16(24)11-18(15)25/h2-12H,13H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 91448105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).