2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide

C15H12Cl2N4O2 — CID 140829753

IUPAC2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H12Cl2N4O2/c1-18-11(22)7-23-9-4-2-8(3-5-9)14-20-13-12(17)10(16)6-19-15(13)21-14/h2-6H,7H2,1H3,(H,18,22)(H,19,20,21)
InChIKeySPQMRRWADNFKQJ-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide

2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide (PubChem CID 140829753) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide
PubChem CID140829753
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H12Cl2N4O2/c1-18-11(22)7-23-9-4-2-8(3-5-9)14-20-13-12(17)10(16)6-19-15(13)21-14/h2-6H,7H2,1H3,(H,18,22)(H,19,20,21)
InChIKeySPQMRRWADNFKQJ-UHFFFAOYSA-N
XLogP3.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[6-chloro-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446623
2-[4-[6-chloro-7-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446497
2-[4-[6-chloro-7-[[(3S)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446528
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide
CID 122485041
methyl 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetate
CID 140829764
N-butan-2-yl-2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetamide;ethane
CID 145132646
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide
CID 122484990
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylphenoxy]-N-methylacetamide
CID 122484993
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 122484969
3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide
CID 122446452
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide (CID 140829753) is 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1.
What is the InChIKey of 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide?
The InChIKey is SPQMRRWADNFKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-18-11(22)7-23-9-4-2-8(3-5-9)14-20-13-12(17)10(16)6-19-15(13)21-14/h2-6H,7H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide?
2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide has a molecular weight of 351.19 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 140829753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).