1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one

C22H25ClN4O3 — CID 90160554

IUPAC1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(-c2nc3nc(OC4CCN(C(=O)C(C)C)CC4)[nH]c3cc2Cl)c1
InChIInChI=1S/C22H25ClN4O3/c1-13(2)21(28)27-9-7-15(8-10-27)30-22-24-18-12-17(23)19(25-20(18)26-22)14-5-4-6-16(11-14)29-3/h4-6,11-13,15H,7-10H2,1-3H3,(H,24,25,26)
InChIKeyAHWKJQKWCNWIFW-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.31
Rot. Bonds5

About 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 90160554) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID90160554
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(-c2nc3nc(OC4CCN(C(=O)C(C)C)CC4)[nH]c3cc2Cl)c1
InChIInChI=1S/C22H25ClN4O3/c1-13(2)21(28)27-9-7-15(8-10-27)30-22-24-18-12-17(23)19(25-20(18)26-22)14-5-4-6-16(11-14)29-3/h4-6,11-13,15H,7-10H2,1-3H3,(H,24,25,26)
InChIKeyAHWKJQKWCNWIFW-UHFFFAOYSA-N
XLogP4.31
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[6-chloro-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxy-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]cyclohexane-1-carboxylic acid
CID 90160567
2-[4-[[6-chloro-5-[4-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclohexyl]-2-methylpropanoic acid
CID 90160658
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-[4-[[6-chloro-5-(1-methyl-2,3-dihydroindol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 90160392
4-[4-(6-chloro-2-cyclohexyloxy-1H-imidazo[4,5-b]pyridin-5-yl)phenyl]benzamide
CID 126576172
4-[4-[2-[3-(azetidine-1-carbonyl)cyclobutyl]oxy-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzoic acid
CID 90160608
6-chloro-2-cyclobutyloxy-5-[2-methoxy-6-(1-methylpiperidin-4-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyridine
CID 176679261
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 3348960
2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid
CID 144512177
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 110611152
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(2-methylpyrrolidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424665

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one (CID 90160554) is 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one is COc1cccc(-c2nc3nc(OC4CCN(C(=O)C(C)C)CC4)[nH]c3cc2Cl)c1.
What is the InChIKey of 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is AHWKJQKWCNWIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-13(2)21(28)27-9-7-15(8-10-27)30-22-24-18-12-17(23)19(25-20(18)26-22)14-5-4-6-16(11-14)29-3/h4-6,11-13,15H,7-10H2,1-3H3,(H,24,25,26).
What are the key properties of 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 428.92 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-chloro-5-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 90160554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).