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

C25H22FN3O3 — CID 173122854

IUPACN-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)cc1F
InChIInChI=1S/C25H22FN3O3/c1-31-22-13-9-16(14-19(22)26)8-11-20-23-21(29-28-20)12-10-18(24(23)32-2)25(30)27-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyGJVBNYXBAOLUSV-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.82
Rot. Bonds7

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

N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 173122854) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
PubChem CID173122854
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC NameN-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)cc1F
InChIInChI=1S/C25H22FN3O3/c1-31-22-13-9-16(14-19(22)26)8-11-20-23-21(29-28-20)12-10-18(24(23)32-2)25(30)27-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyGJVBNYXBAOLUSV-UHFFFAOYSA-N
XLogP4.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 158047421
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
3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 135987975
N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
CID 161406016
3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987956
3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91235662
3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 135987971
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(2-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136601640
methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
CID 173122685
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
N-cyclopropyl-4-methoxy-3-[2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 173122824
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135987991

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide (CID 173122854) is N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide is COc1ccc(C=Cc2[nH]nc3ccc(C(=O)NCc4ccccc4)c(OC)c23)cc1F.
What is the InChIKey of N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is GJVBNYXBAOLUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-31-22-13-9-16(14-19(22)26)8-11-20-23-21(29-28-20)12-10-18(24(23)32-2)25(30)27-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide?
N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 173122854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).