N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H22FN3O3 — CID 55486564

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C23H22FN3O3/c24-16-6-8-17(9-7-16)27-19-4-2-1-3-18(19)22(26-27)23(28)25-14-15-5-10-20-21(13-15)30-12-11-29-20/h5-10,13H,1-4,11-12,14H2,(H,25,28)
InChIKeyOWPZSEFZYQSVHG-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.59
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 55486564) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID55486564
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C23H22FN3O3/c24-16-6-8-17(9-7-16)27-19-4-2-1-3-18(19)22(26-27)23(28)25-14-15-5-10-20-21(13-15)30-12-11-29-20/h5-10,13H,1-4,11-12,14H2,(H,25,28)
InChIKeyOWPZSEFZYQSVHG-UHFFFAOYSA-N
XLogP3.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-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

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590207
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18271875
1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30839353
1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30859045
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41223258
1-(4-fluorophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18279681
1-(4-fluorophenyl)-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55863905
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16601210
1-(4-fluorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581233
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 55773047
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55710045

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 55486564) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is O=C(NCc1ccc2c(c1)OCCO2)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is OWPZSEFZYQSVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-16-6-8-17(9-7-16)27-19-4-2-1-3-18(19)22(26-27)23(28)25-14-15-5-10-20-21(13-15)30-12-11-29-20/h5-10,13H,1-4,11-12,14H2,(H,25,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 55486564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).