3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

C24H26FN3O3 — CID 26326251

IUPAC3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)cc1OC
InChIInChI=1S/C24H26FN3O3/c1-30-22-12-10-16(14-23(22)31-2)11-13-24(29)27-19-7-5-9-20-17(19)15-26-28(20)21-8-4-3-6-18(21)25/h3-4,6,8,10,12,14-15,19H,5,7,9,11,13H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeySVZIPVQXIYQKNP-IBGZPJMESA-N
MW423.49 g/mol
LogP4.16
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (PubChem CID 26326251) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
PubChem CID26326251
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)cc1OC
InChIInChI=1S/C24H26FN3O3/c1-30-22-12-10-16(14-23(22)31-2)11-13-24(29)27-19-7-5-9-20-17(19)15-26-28(20)21-8-4-3-6-18(21)25/h3-4,6,8,10,12,14-15,19H,5,7,9,11,13H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeySVZIPVQXIYQKNP-IBGZPJMESA-N
XLogP4.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide 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

N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 42094250
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-pyridin-4-ylpropanamide
CID 24817490
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24817868
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 56738961
N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42384413
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 52514919
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-indazol-2-ylacetamide
CID 26317128
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 24817447
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 24791226
3-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 160839490

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (CID 26326251) is 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is COc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The InChIKey is SVZIPVQXIYQKNP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-30-22-12-10-16(14-23(22)31-2)11-13-24(29)27-19-7-5-9-20-17(19)15-26-28(20)21-8-4-3-6-18(21)25/h3-4,6,8,10,12,14-15,19H,5,7,9,11,13H2,1-2H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide has a molecular weight of 423.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is sourced from PubChem (CID 26326251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).