2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole

C19H21N3S — CID 176573922

IUPAC2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole
SMILESCCSc1cnc(N2CCC2C)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C19H21N3S/c1-3-23-15-11-16(19(20-12-15)22-9-8-13(22)2)18-10-14-6-4-5-7-17(14)21-18/h4-7,10-13,21H,3,8-9H2,1-2H3
InChIKeyMDKPLGHRDFAUKP-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.94
Rot. Bonds4

About 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole

2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole (PubChem CID 176573922) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole
PubChem CID176573922
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole
SMILESCCSc1cnc(N2CCC2C)c(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C19H21N3S/c1-3-23-15-11-16(19(20-12-15)22-9-8-13(22)2)18-10-14-6-4-5-7-17(14)21-18/h4-7,10-13,21H,3,8-9H2,1-2H3
InChIKeyMDKPLGHRDFAUKP-UHFFFAOYSA-N
XLogP4.94
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-fluoroazetidin-1-yl)-5-methyl-3-pyridinyl]-1H-indole
CID 176573759
2-[2-[3-(difluoromethoxy)azetidin-1-yl]-5-ethylsulfanylphenyl]-1H-indole
CID 176573778
[6-(3,3-difluoropyrrolidin-1-yl)-5-(1H-indol-2-yl)-3-pyridinyl]-ethyl-imino-oxo-λ6-sulfane
CID 176573472
N-[3-(1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfanylmethanamine
CID 168940660
2-(4-fluoro-6-piperidin-1-yl-3-pyridinyl)-1H-indole
CID 172593039
6-ethylsulfanyl-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 89470350
2-(2-pyrrolidin-1-yl-5-pyrrolidin-1-ylsulfanylphenyl)-1H-indole
CID 168940531
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
CID 67261404
2-[5-(azetidin-1-ylsulfanyl)-2-piperidin-1-ylphenyl]-1H-indole
CID 168941138
5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
CID 132521621
(2R,3S)-N-[6-(1H-indol-2-yl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491876
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole?
The IUPAC name of 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole (CID 176573922) is 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole.
What is the SMILES notation for 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole?
The canonical SMILES for 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole is CCSc1cnc(N2CCC2C)c(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole?
The InChIKey is MDKPLGHRDFAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-3-23-15-11-16(19(20-12-15)22-9-8-13(22)2)18-10-14-6-4-5-7-17(14)21-18/h4-7,10-13,21H,3,8-9H2,1-2H3.
What are the key properties of 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole?
2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole has a molecular weight of 323.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethylsulfanyl-2-(2-methylazetidin-1-yl)-3-pyridinyl]-1H-indole is sourced from PubChem (CID 176573922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).