3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide

C23H26FN3O4 — CID 135987909

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C23H26FN3O4/c1-14(2)20(13-29)25-23(30)17-8-10-19-21(22(17)31-12-11-28)18(26-27-19)9-5-15-3-6-16(24)7-4-15/h3-10,14,20,28-29H,11-13H2,1-2H3,(H,25,30)(H,26,27)/b9-5+/t20-/m1/s1
InChIKeyLSNDUSVIGNQADJ-MVHVFESUSA-N
MW427.48 g/mol
LogP2.99
Rot. Bonds9

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide (PubChem CID 135987909) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
PubChem CID135987909
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C23H26FN3O4/c1-14(2)20(13-29)25-23(30)17-8-10-19-21(22(17)31-12-11-28)18(26-27-19)9-5-15-3-6-16(24)7-4-15/h3-10,14,20,28-29H,11-13H2,1-2H3,(H,25,30)(H,26,27)/b9-5+/t20-/m1/s1
InChIKeyLSNDUSVIGNQADJ-MVHVFESUSA-N
XLogP2.99
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
CID 136648325
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2H-indazole-5-carboxylic acid
CID 160640073
3-[2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide
CID 136629913
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135987991
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-1H-indazole-5-carboxamide
CID 91407408
3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 135987956
N-[2-(butylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 173122785
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
CID 68930611
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 161122132
N-cyclopropyl-3-[2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide
CID 173123144

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide (CID 135987909) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide?
The InChIKey is LSNDUSVIGNQADJ-MVHVFESUSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-14(2)20(13-29)25-23(30)17-8-10-19-21(22(17)31-12-11-28)18(26-27-19)9-5-15-3-6-16(24)7-4-15/h3-10,14,20,28-29H,11-13H2,1-2H3,(H,25,30)(H,26,27)/b9-5+/t20-/m1/s1.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide?
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 135987909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).