N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide

C24H25N5O — CID 7740521

IUPACN-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1
InChIInChI=1S/C24H25N5O/c30-24(17-9-3-1-4-10-17)26-21(15-18-16-25-20-12-7-6-11-19(18)20)23-28-27-22-13-5-2-8-14-29(22)23/h1,3-4,6-7,9-12,16,21,25H,2,5,8,13-15H2,(H,26,30)/t21-/m1/s1
InChIKeyHBTZPLWKUHURCV-OAQYLSRUSA-N
MW399.50 g/mol
LogP4.20
Rot. Bonds5

About N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide

N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide (PubChem CID 7740521) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
PubChem CID7740521
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1
InChIInChI=1S/C24H25N5O/c30-24(17-9-3-1-4-10-17)26-21(15-18-16-25-20-12-7-6-11-19(18)20)23-28-27-22-13-5-2-8-14-29(22)23/h1,3-4,6-7,9-12,16,21,25H,2,5,8,13-15H2,(H,26,30)/t21-/m1/s1
InChIKeyHBTZPLWKUHURCV-OAQYLSRUSA-N
XLogP4.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]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

2-chloro-N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 2321184
3-(diethylsulfamoyl)-N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 3627377
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 4962974
3-(1H-indol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 138378454
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 60715577
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 24777944
N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 2321196
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
CID 582713
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]benzamide
CID 91160343

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide (CID 7740521) is N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide is O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide?
The InChIKey is HBTZPLWKUHURCV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(17-9-3-1-4-10-17)26-21(15-18-16-25-20-12-7-6-11-19(18)20)23-28-27-22-13-5-2-8-14-29(22)23/h1,3-4,6-7,9-12,16,21,25H,2,5,8,13-15H2,(H,26,30)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide?
N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide has a molecular weight of 399.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide is sourced from PubChem (CID 7740521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).