2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone

C21H24N4O — CID 11838244

IUPAC2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone
SMILESO=C(N1CCc2ccccc21)C12CC3CC(C1)CC(n1cncn1)(C3)C2
InChIInChI=1S/C21H24N4O/c26-19(24-6-5-17-3-1-2-4-18(17)24)20-8-15-7-16(9-20)11-21(10-15,12-20)25-14-22-13-23-25/h1-4,13-16H,5-12H2
InChIKeyGIVGKKSUKOGCTI-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.16
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone

2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone (PubChem CID 11838244) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone
PubChem CID11838244
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone
SMILESO=C(N1CCc2ccccc21)C12CC3CC(C1)CC(n1cncn1)(C3)C2
InChIInChI=1S/C21H24N4O/c26-19(24-6-5-17-3-1-2-4-18(17)24)20-8-15-7-16(9-20)11-21(10-15,12-20)25-14-22-13-23-25/h1-4,13-16H,5-12H2
InChIKeyGIVGKKSUKOGCTI-UHFFFAOYSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone 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

[(5R,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-(2,3-dihydroindol-1-yl)methanone
CID 98171024
1-(2,3-dihydroindole-1-carbonyl)tetracyclo[5.3.1.03,9.05,9]undecan-4-one
CID 118258218
(5S,7S)-N-benzyl-N-phenyl-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 98370900
N-(2-ethylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 19579722
(5S,7R)-N-(2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 19577774
(5S,7S)-N-[2-(difluoromethoxy)phenyl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 98311026
methyl 3-[[(5S,7R)-3-(1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate
CID 1017842
2,9-diazaspiro[4.5]decan-2-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone
CID 56754230
(5S,7R)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 156599934
1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
CID 72709163
2,9-diazaspiro[4.5]decan-2-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone;hydrochloride
CID 154890843
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 2371875

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone (CID 11838244) is 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone is O=C(N1CCc2ccccc21)C12CC3CC(C1)CC(n1cncn1)(C3)C2.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone?
The InChIKey is GIVGKKSUKOGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-19(24-6-5-17-3-1-2-4-18(17)24)20-8-15-7-16(9-20)11-21(10-15,12-20)25-14-22-13-23-25/h1-4,13-16H,5-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone?
2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methanone is sourced from PubChem (CID 11838244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).