2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine

C24H25FN4S2 — CID 68870953

IUPAC2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCc1cc2cc(F)ccc2n1C1=CCN(CCCSc2nc3cccnc3s2)CC1
InChIInChI=1S/C24H25FN4S2/c1-2-19-16-17-15-18(25)6-7-22(17)29(19)20-8-12-28(13-9-20)11-4-14-30-24-27-21-5-3-10-26-23(21)31-24/h3,5-8,10,15-16H,2,4,9,11-14H2,1H3
InChIKeyJNYBOJOJBBFVCX-UHFFFAOYSA-N
MW452.62 g/mol
LogP6.08
Rot. Bonds7

About 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine

2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 68870953) has the molecular formula C24H25FN4S2 and a molecular weight of 452.62 g/mol. Its IUPAC name is 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID68870953
Molecular FormulaC24H25FN4S2
Molecular Weight452.62 g/mol
Exact Mass452.15
IUPAC Name2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCc1cc2cc(F)ccc2n1C1=CCN(CCCSc2nc3cccnc3s2)CC1
InChIInChI=1S/C24H25FN4S2/c1-2-19-16-17-15-18(25)6-7-22(17)29(19)20-8-12-28(13-9-20)11-4-14-30-24-27-21-5-3-10-26-23(21)31-24/h3,5-8,10,15-16H,2,4,9,11-14H2,1H3
InChIKeyJNYBOJOJBBFVCX-UHFFFAOYSA-N
XLogP6.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-2-yl)thiazole
CID 11546121
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyrazin-2-yl)thiazole
CID 11668827
1-Methyl-3-(2-thiazolyl)-1H-indole
CID 11275932
N,N-diethyl-2-(2-methyl-[1,3]thiazolo[5,4-b]indol-4-yl)ethanamine
CID 664312
6-Fluoro-2-(1-methylindol-5-yl)-1,3-benzothiazole
CID 92131165
11-Methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
CID 126483472

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine (CID 68870953) is 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine is CCc1cc2cc(F)ccc2n1C1=CCN(CCCSc2nc3cccnc3s2)CC1.
What is the InChIKey of 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is JNYBOJOJBBFVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4S2/c1-2-19-16-17-15-18(25)6-7-22(17)29(19)20-8-12-28(13-9-20)11-4-14-30-24-27-21-5-3-10-26-23(21)31-24/h3,5-8,10,15-16H,2,4,9,11-14H2,1H3.
What are the key properties of 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 452.62 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-ethyl-5-fluoroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]propylsulfanyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 68870953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).