6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium

C16H14ClN4OSY- — CID 140612179

IUPAC6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium
SMILES[S-]c1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1.[Y]
InChIInChI=1S/C16H15ClN4OS.Y/c17-12-9-13-15(20-16(23)18-13)19-14(12)10-1-3-11(4-2-10)21-5-7-22-8-6-21;/h1-4,9H,5-8H2,(H2,18,19,20,23);/p-1
InChIKeyKMBFGZKCWMLOLB-UHFFFAOYSA-M
MW434.74 g/mol
LogP3.02
Rot. Bonds2

About 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium

6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium (PubChem CID 140612179) has the molecular formula C16H14ClN4OSY- and a molecular weight of 434.74 g/mol. Its IUPAC name is 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium.

Molecular Properties

Compound Name6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium
PubChem CID140612179
Molecular FormulaC16H14ClN4OSY-
Molecular Weight434.74 g/mol
Exact Mass433.96
IUPAC Name6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium
SMILES[S-]c1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1.[Y]
InChIInChI=1S/C16H15ClN4OS.Y/c17-12-9-13-15(20-16(23)18-13)19-14(12)10-1-3-11(4-2-10)21-5-7-22-8-6-21;/h1-4,9H,5-8H2,(H2,18,19,20,23);/p-1
InChIKeyKMBFGZKCWMLOLB-UHFFFAOYSA-M
XLogP3.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutan-1-amine
CID 90160685
2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
CID 137403343
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-2-ol
CID 126576211
2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide
CID 90160521
3-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136634852
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
CID 71492583
2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol
CID 144512156
6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 90160442
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-dimethyl-3-pyridin-2-ylpropanoic acid
CID 71493116
(3aR,6aR)-6-[[6-chloro-5-(4-pyrrolidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144618751
6-chloro-5-phenyl-2-pyrrolidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 176678688

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium?
The IUPAC name of 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium (CID 140612179) is 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium.
What is the SMILES notation for 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium?
The canonical SMILES for 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium is [S-]c1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1.[Y].
What is the InChIKey of 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium?
The InChIKey is KMBFGZKCWMLOLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15ClN4OS.Y/c17-12-9-13-15(20-16(23)18-13)19-14(12)10-1-3-11(4-2-10)21-5-7-22-8-6-21;/h1-4,9H,5-8H2,(H2,18,19,20,23);/p-1.
What are the key properties of 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium?
6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium has a molecular weight of 434.74 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium is sourced from PubChem (CID 140612179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).