3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide

C24H15F3N6O3 — CID 142957941

IUPAC3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OC(F)C(F)(F)O2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H15F3N6O3/c25-23-24(26,27)36-18-7-5-15(10-19(18)35-23)30-22(34)14-3-1-2-12(8-14)20-16-9-13(21-28-11-29-33-21)4-6-17(16)31-32-20/h1-11,23H,(H,30,34)(H,31,32)(H,28,29,33)
InChIKeyRDWGWBDUTFVSTH-UHFFFAOYSA-N
MW492.42 g/mol
LogP4.93
Rot. Bonds4

About 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide

3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide (PubChem CID 142957941) has the molecular formula C24H15F3N6O3 and a molecular weight of 492.42 g/mol. Its IUPAC name is 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide
PubChem CID142957941
Molecular FormulaC24H15F3N6O3
Molecular Weight492.42 g/mol
Exact Mass492.12
IUPAC Name3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OC(F)C(F)(F)O2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H15F3N6O3/c25-23-24(26,27)36-18-7-5-15(10-19(18)35-23)30-22(34)14-3-1-2-12(8-14)20-16-9-13(21-28-11-29-33-21)4-6-17(16)31-32-20/h1-11,23H,(H,30,34)(H,31,32)(H,28,29,33)
InChIKeyRDWGWBDUTFVSTH-UHFFFAOYSA-N
XLogP4.93
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.42
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide 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-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]benzamide
CID 44189445
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-3-yl)phenyl]benzamide
CID 136499039
5-(2-((1H-indazol-5-yl)methylamino)pyridin-3-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-oxadiazol-2-amine
CID 53318958
5-(2-((1H-indazol-5-yl)methylamino)phenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-amine
CID 53326441
N-(3-aminopropyl)-3-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 172355405
n-[3-(5-(1h-1,2,4-Triazol-3-yl)(1h-indazol-3-yl))phenyl](4methoxyphenyl)carboxamide
CID 22479828
N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 11477730
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 44186930
2-[6-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]-2H-indazol-3-yl]-N-methylacetamide
CID 69637345
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-3-carboxamide
CID 89450506
N-[5-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
CID 136073438
4-fluoro-N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide;N-(4-hydroxycyclohexyl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(oxan-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 159557431

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide (CID 142957941) is 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide is O=C(Nc1ccc2c(c1)OC(F)C(F)(F)O2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is RDWGWBDUTFVSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O3/c25-23-24(26,27)36-18-7-5-15(10-19(18)35-23)30-22(34)14-3-1-2-12(8-14)20-16-9-13(21-28-11-29-33-21)4-6-17(16)31-32-20/h1-11,23H,(H,30,34)(H,31,32)(H,28,29,33).
What are the key properties of 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide?
3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 492.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]-N-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 142957941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).