2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C18H21N5 — CID 71859904

IUPAC2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H21N5/c1-14-18(16-4-2-3-5-17(16)21-14)15-6-8-22(9-7-15)10-11-23-13-19-12-20-23/h2-6,12-13,21H,7-11H2,1H3
InChIKeyAYVPSOCFTXENBG-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 71859904) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID71859904
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H21N5/c1-14-18(16-4-2-3-5-17(16)21-14)15-6-8-22(9-7-15)10-11-23-13-19-12-20-23/h2-6,12-13,21H,7-11H2,1H3
InChIKeyAYVPSOCFTXENBG-UHFFFAOYSA-N
XLogP2.86
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole with MolForge

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Related Compounds

4-[(2R)-2-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]morpholine
CID 97128541
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
3-[1-(4-ethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086831
2-methyl-3-[1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 99828788
2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 20867201
3-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867214
2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113086810
3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086828
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 18125090
N,N-dimethyl-1-phenyl-4-[3-[2-(1,2,4-triazol-1-yl)ethyl]-1H-indol-2-yl]cyclohex-3-en-1-amine
CID 57475171
3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867218
4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025007

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 71859904) is 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Cc1[nH]c2ccccc2c1C1=CCN(CCn2cncn2)CC1.
What is the InChIKey of 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is AYVPSOCFTXENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-18(16-4-2-3-5-17(16)21-14)15-6-8-22(9-7-15)10-11-23-13-19-12-20-23/h2-6,12-13,21H,7-11H2,1H3.
What are the key properties of 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 307.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-[2-(1,2,4-triazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 71859904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).