N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

C23H20FN3O3 — CID 58138797

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H20FN3O3/c1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyBZMMBNGMHHRWHX-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.11
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138797) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138797
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H20FN3O3/c1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyBZMMBNGMHHRWHX-UHFFFAOYSA-N
XLogP4.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-((1R,2S)-2-(2,2-difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1H-indazol-1-yl)-N-((R)-tetrahydrofuran-3-yl)benzamide
CID 67041274
Velsecorat
CID 139593415
3-(5-((1R,2S)-2-(2,2-Difluoropropanamido)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propoxy)-1H-indazol-1-yl)-N-((S)-tetrahydrofuran-3-yl)benzamide
CID 44516035
N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide
CID 6467207
3-{5-[(2-Fluorophenyl)amino]-1h-Indazol-1-Yl}-N-(3,4,5-Trimethoxyphenyl)benzamide
CID 25174103
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550757
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]benzamide
CID 25014206
N-cyclopentyl-3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]indazol-1-yl]benzamide
CID 44516656
2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-quinolinecarboxamide
CID 995083
2-butyl-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
CID 11958829
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4-dimethoxybenzamide
CID 24791056
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 24793842

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138797) is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is COc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is BZMMBNGMHHRWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17/h3-12,14H,13H2,1-2H3,(H,25,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).