(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

C17H23N3O — CID 78828303

IUPAC(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCN(C)CC3)[nH]c2c1
InChIInChI=1S/C17H23N3O/c1-12-9-13(2)14-11-16(18-15(14)10-12)17(21)20-6-4-5-19(3)7-8-20/h9-11,18H,4-8H2,1-3H3
InChIKeyGVDMGDQULIXZBU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.56
Rot. Bonds1

About (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 78828303) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID78828303
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1cc(C)c2cc(C(=O)N3CCCN(C)CC3)[nH]c2c1
InChIInChI=1S/C17H23N3O/c1-12-9-13(2)14-11-16(18-15(14)10-12)17(21)20-6-4-5-19(3)7-8-20/h9-11,18H,4-8H2,1-3H3
InChIKeyGVDMGDQULIXZBU-UHFFFAOYSA-N
XLogP2.56
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)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

(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35788544
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 134032999
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 46679976
(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 91642214
(4,6-dimethyl-1H-indol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 95990079
(4,6-dimethyl-1H-indol-2-yl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 35894830
4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239311
(2S)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694567
(2R)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694565
(4,6-dimethyl-1H-indol-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734831
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 78828303) is (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is Cc1cc(C)c2cc(C(=O)N3CCCN(C)CC3)[nH]c2c1.
What is the InChIKey of (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is GVDMGDQULIXZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-13(2)14-11-16(18-15(14)10-12)17(21)20-6-4-5-19(3)7-8-20/h9-11,18H,4-8H2,1-3H3.
What are the key properties of (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 78828303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).