2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide

C19H20ClN5O2S — CID 90160521

IUPAC2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)C(N)=O
InChIInChI=1S/C19H20ClN5O2S/c1-11(17(21)26)28-19-22-15-10-14(20)16(23-18(15)24-19)12-2-4-13(5-3-12)25-6-8-27-9-7-25/h2-5,10-11H,6-9H2,1H3,(H2,21,26)(H,22,23,24)
InChIKeyPFBSZRUCEKHEOC-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.08
Rot. Bonds5

About 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide (PubChem CID 90160521) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide
PubChem CID90160521
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC Name2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)C(N)=O
InChIInChI=1S/C19H20ClN5O2S/c1-11(17(21)26)28-19-22-15-10-14(20)16(23-18(15)24-19)12-2-4-13(5-3-12)25-6-8-27-9-7-25/h2-5,10-11H,6-9H2,1H3,(H2,21,26)(H,22,23,24)
InChIKeyPFBSZRUCEKHEOC-UHFFFAOYSA-N
XLogP3.08
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
CID 137403343
6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-2-thiolate;yttrium
CID 140612179
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
2-[[6-chloro-5-[4-(2-hydroxyphenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanoic acid
CID 162359938
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutan-1-amine
CID 90160685
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-2-ol
CID 126576211
1-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]piperidine-3-carboxylic acid
CID 71492583
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
2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol
CID 144512156
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
6-chloro-2-ethoxy-5-(4-piperidin-1-ylphenyl)-1H-imidazo[4,5-b]pyridine
CID 90160442
2-(1-amino-1-oxopropan-2-yl)sulfanyl-3H-benzimidazole-5-carboxylic acid
CID 84615024

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide (CID 90160521) is 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide is CC(Sc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)C(N)=O.
What is the InChIKey of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide?
The InChIKey is PFBSZRUCEKHEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S/c1-11(17(21)26)28-19-22-15-10-14(20)16(23-18(15)24-19)12-2-4-13(5-3-12)25-6-8-27-9-7-25/h2-5,10-11H,6-9H2,1H3,(H2,21,26)(H,22,23,24).
What are the key properties of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide?
2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide has a molecular weight of 417.92 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 90160521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).