2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone

C21H22N4OS — CID 133321429

IUPAC2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone
SMILESCCc1ncc(CN(C)c2ncccc2C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C21H22N4OS/c1-3-19-23-13-16(27-19)14-24(2)20-17(8-6-11-22-20)21(26)25-12-10-15-7-4-5-9-18(15)25/h4-9,11,13H,3,10,12,14H2,1-2H3
InChIKeyGTYPTEUTYSGMLE-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.94
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone (PubChem CID 133321429) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone
PubChem CID133321429
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone
SMILESCCc1ncc(CN(C)c2ncccc2C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C21H22N4OS/c1-3-19-23-13-16(27-19)14-24(2)20-17(8-6-11-22-20)21(26)25-12-10-15-7-4-5-9-18(15)25/h4-9,11,13H,3,10,12,14H2,1-2H3
InChIKeyGTYPTEUTYSGMLE-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone with MolForge

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Related Compounds

2,3-dihydroindol-1-yl-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]methanone
CID 133356141
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide
CID 133321428
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
2,3-dihydroindol-1-yl(imidazo[1,2-a]pyridin-8-yl)methanone
CID 110704438
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110306395
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495333
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
CID 25466745
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
CID 133474291

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone (CID 133321429) is 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone is CCc1ncc(CN(C)c2ncccc2C(=O)N2CCc3ccccc32)s1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone?
The InChIKey is GTYPTEUTYSGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-3-19-23-13-16(27-19)14-24(2)20-17(8-6-11-22-20)21(26)25-12-10-15-7-4-5-9-18(15)25/h4-9,11,13H,3,10,12,14H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone has a molecular weight of 378.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133321429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).