3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide

C22H22FN3O3 — CID 59797144

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C22H22FN3O3/c1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14/h4-11,16H,2-3,12-13H2,1H3,(H,24,27)(H,25,26)/b10-6+
InChIKeyMHBYBGSMRWWCMI-UXBLZVDNSA-N
MW395.43 g/mol
LogP3.79
Rot. Bonds6

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 59797144) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID59797144
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C22H22FN3O3/c1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14/h4-11,16H,2-3,12-13H2,1H3,(H,24,27)(H,25,26)/b10-6+
InChIKeyMHBYBGSMRWWCMI-UXBLZVDNSA-N
XLogP3.79
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 59797144) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is MHBYBGSMRWWCMI-UXBLZVDNSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14/h4-11,16H,2-3,12-13H2,1H3,(H,24,27)(H,25,26)/b10-6+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).