3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride

C22H24Cl2N4O3S — CID 73472920

IUPAC3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride
SMILESCl.Cl.O=C1SC(=CCCc2cccnc2)C(=O)N1CCCCOc1cccn2ccnc12
InChIInChI=1S/C22H22N4O3S.2ClH/c27-21-19(9-3-6-17-7-4-10-23-16-17)30-22(28)26(21)13-1-2-15-29-18-8-5-12-25-14-11-24-20(18)25;;/h4-5,7-12,14,16H,1-3,6,13,15H2;2*1H
InChIKeyMJDOUSSIXBPXES-UHFFFAOYSA-N
MW495.43 g/mol
LogP4.94
Rot. Bonds9

About 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride

3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride (PubChem CID 73472920) has the molecular formula C22H24Cl2N4O3S and a molecular weight of 495.43 g/mol. Its IUPAC name is 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride
PubChem CID73472920
Molecular FormulaC22H24Cl2N4O3S
Molecular Weight495.43 g/mol
Exact Mass494.09
IUPAC Name3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride
SMILESCl.Cl.O=C1SC(=CCCc2cccnc2)C(=O)N1CCCCOc1cccn2ccnc12
InChIInChI=1S/C22H22N4O3S.2ClH/c27-21-19(9-3-6-17-7-4-10-23-16-17)30-22(28)26(21)13-1-2-15-29-18-8-5-12-25-14-11-24-20(18)25;;/h4-5,7-12,14,16H,1-3,6,13,15H2;2*1H
InChIKeyMJDOUSSIXBPXES-UHFFFAOYSA-N
XLogP4.94
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-pentylidene-1,3-thiazolidine-2,4-dione
CID 18936792
(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936831
(5E)-3-(4-imidazo[1,2-a]pyridin-5-yloxybutyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
CID 18936651
(5E)-5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
CID 18936750
5-butylidene-3-[4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutyl]-1,3-thiazolidine-2,4-dione
CID 57040647
2-[(5Z)-2,4-dioxo-5-[3-(4-undecoxyphenyl)propylidene]-1,3-thiazolidin-3-yl]ethylazanium
CID 140663007
(5Z)-3-(2-aminoethyl)-5-[3-(2-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 56969032
4-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]butanoate
CID 7006718
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
4-(4-chloro-2-methylphenoxy)-N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]butanamide
CID 6533320
(5Z)-3-(2-aminoethyl)-5-[3-(4-ethoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione
CID 56969029
(5E)-5-hexylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936705

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride?
The IUPAC name of 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride (CID 73472920) is 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride?
The canonical SMILES for 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride is Cl.Cl.O=C1SC(=CCCc2cccnc2)C(=O)N1CCCCOc1cccn2ccnc12.
What is the InChIKey of 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride?
The InChIKey is MJDOUSSIXBPXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S.2ClH/c27-21-19(9-3-6-17-7-4-10-23-16-17)30-22(28)26(21)13-1-2-15-29-18-8-5-12-25-14-11-24-20(18)25;;/h4-5,7-12,14,16H,1-3,6,13,15H2;2*1H.
What are the key properties of 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride?
3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride has a molecular weight of 495.43 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazo[1,2-a]pyridin-8-yloxybutyl)-5-(3-pyridin-3-ylpropylidene)-1,3-thiazolidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 73472920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).