N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine

C25H24N6O2 — CID 2464221

IUPACN-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine
SMILESCOc1cccc([C@@H](CNc2nnnn2-c2ccccc2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C25H24N6O2/c1-32-23-14-8-12-19(24(23)33-2)21(20-15-26-22-13-7-6-11-18(20)22)16-27-25-28-29-30-31(25)17-9-4-3-5-10-17/h3-15,21,26H,16H2,1-2H3,(H,27,28,30)/t21-/m1/s1
InChIKeyBZYZUHFAZAZPEW-OAQYLSRUSA-N
MW440.51 g/mol
LogP4.40
Rot. Bonds8

About N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine

N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 2464221) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID2464221
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine
SMILESCOc1cccc([C@@H](CNc2nnnn2-c2ccccc2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C25H24N6O2/c1-32-23-14-8-12-19(24(23)33-2)21(20-15-26-22-13-7-6-11-18(20)22)16-27-25-28-29-30-31(25)17-9-4-3-5-10-17/h3-15,21,26H,16H2,1-2H3,(H,27,28,30)/t21-/m1/s1
InChIKeyBZYZUHFAZAZPEW-OAQYLSRUSA-N
XLogP4.40
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine 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

methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
(2S)-2-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1H-indol-3-yl)ethanamine
CID 8645493
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 46429772
2-[[(2R)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]carbamothioylamino]ethyl-dimethylazanium
CID 8770205
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2,4-difluorobenzenesulfonamide
CID 30328831
1-cyclohexyl-3-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiourea
CID 46800445

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine (CID 2464221) is N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine is COc1cccc([C@@H](CNc2nnnn2-c2ccccc2)c2c[nH]c3ccccc23)c1OC.
What is the InChIKey of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is BZYZUHFAZAZPEW-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-32-23-14-8-12-19(24(23)33-2)21(20-15-26-22-13-7-6-11-18(20)22)16-27-25-28-29-30-31(25)17-9-4-3-5-10-17/h3-15,21,26H,16H2,1-2H3,(H,27,28,30)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine?
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 440.51 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 2464221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).