1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride

C20H30ClN5O — CID 120857600

IUPAC1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride
SMILESCc1nc(CN(C)C2CCCN(Cc3cccc4c3NCC4)CC2)no1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-15-22-19(23-26-15)14-24(2)18-7-4-11-25(12-9-18)13-17-6-3-5-16-8-10-21-20(16)17;/h3,5-6,18,21H,4,7-14H2,1-2H3;1H
InChIKeyLHRUKDSLGYWPTI-UHFFFAOYSA-N
MW391.95 g/mol
LogP3.25
Rot. Bonds5

About 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride

1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride (PubChem CID 120857600) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride
PubChem CID120857600
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC Name1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride
SMILESCc1nc(CN(C)C2CCCN(Cc3cccc4c3NCC4)CC2)no1.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-15-22-19(23-26-15)14-24(2)18-7-4-11-25(12-9-18)13-17-6-3-5-16-8-10-21-20(16)17;/h3,5-6,18,21H,4,7-14H2,1-2H3;1H
InChIKeyLHRUKDSLGYWPTI-UHFFFAOYSA-N
XLogP3.25
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride with MolForge

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Related Compounds

(4S)-1-(1H-indazol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129344375
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 114327278
(4S)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 129336107
1-(2-amino-2-methylpropyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 120857603
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-propan-2-yltriazol-4-yl)methyl]azepan-4-amine
CID 167765636
1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 128998640
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
7-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120847704
7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120848325
1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidine-4-sulfonamide;hydrochloride
CID 120848251
7-[[4-(2-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849175

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride (CID 120857600) is 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride is Cc1nc(CN(C)C2CCCN(Cc3cccc4c3NCC4)CC2)no1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride?
The InChIKey is LHRUKDSLGYWPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.ClH/c1-15-22-19(23-26-15)14-24(2)18-7-4-11-25(12-9-18)13-17-6-3-5-16-8-10-21-20(16)17;/h3,5-6,18,21H,4,7-14H2,1-2H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride?
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine;hydrochloride is sourced from PubChem (CID 120857600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).