2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone

C21H25N3O2S — CID 133357945

IUPAC2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
SMILESCCSC1CCC1(O)CNc1ccc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C21H25N3O2S/c1-2-27-18-9-11-21(18,26)14-23-19-8-7-16(13-22-19)20(25)24-12-10-15-5-3-4-6-17(15)24/h3-8,13,18,26H,2,9-12,14H2,1H3,(H,22,23)
InChIKeyLGYGBKLHCJQLQD-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.34
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone (PubChem CID 133357945) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
PubChem CID133357945
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
SMILESCCSC1CCC1(O)CNc1ccc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C21H25N3O2S/c1-2-27-18-9-11-21(18,26)14-23-19-8-7-16(13-22-19)20(25)24-12-10-15-5-3-4-6-17(15)24/h3-8,13,18,26H,2,9-12,14H2,1H3,(H,22,23)
InChIKeyLGYGBKLHCJQLQD-UHFFFAOYSA-N
XLogP3.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone with MolForge

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Related Compounds

2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
2,3-dihydroindol-1-yl-[6-[2-(3-methylmorpholin-4-yl)propylamino]-3-pyridinyl]methanone
CID 133302712
1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133357440
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548
2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
CID 127597666

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone (CID 133357945) is 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone is CCSC1CCC1(O)CNc1ccc(C(=O)N2CCc3ccccc32)cn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone?
The InChIKey is LGYGBKLHCJQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-2-27-18-9-11-21(18,26)14-23-19-8-7-16(13-22-19)20(25)24-12-10-15-5-3-4-6-17(15)24/h3-8,13,18,26H,2,9-12,14H2,1H3,(H,22,23).
What are the key properties of 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone has a molecular weight of 383.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133357945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).