2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine

C23H29ClN4O — CID 25010545

IUPAC2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
SMILESCCCCOc1ccc(Cl)cc1C1CCN(Cc2nc3cccnc3n2C)CC1
InChIInChI=1S/C23H29ClN4O/c1-3-4-14-29-21-8-7-18(24)15-19(21)17-9-12-28(13-10-17)16-22-26-20-6-5-11-25-23(20)27(22)2/h5-8,11,15,17H,3-4,9-10,12-14,16H2,1-2H3
InChIKeyFSCONUZVLCPDRH-UHFFFAOYSA-N
MW412.97 g/mol
LogP5.18
Rot. Bonds7

About 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine

2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 25010545) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
PubChem CID25010545
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
SMILESCCCCOc1ccc(Cl)cc1C1CCN(Cc2nc3cccnc3n2C)CC1
InChIInChI=1S/C23H29ClN4O/c1-3-4-14-29-21-8-7-18(24)15-19(21)17-9-12-28(13-10-17)16-22-26-20-6-5-11-25-23(20)27(22)2/h5-8,11,15,17H,3-4,9-10,12-14,16H2,1-2H3
InChIKeyFSCONUZVLCPDRH-UHFFFAOYSA-N
XLogP5.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.97
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25010195
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25008791
2-[[(1S,5R)-6-[(2-chloro-4-methylphenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25050692
2-[[(1R,5S)-6-[(4-tert-butyl-2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25050827
2-[[4-[2-fluoro-5-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25008790
2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830745
3-methyl-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191327
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 83275804
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
2-[[4-[[2-[(2,4-dichlorophenoxy)methyl]-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 164601518

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine (CID 25010545) is 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine is CCCCOc1ccc(Cl)cc1C1CCN(Cc2nc3cccnc3n2C)CC1.
What is the InChIKey of 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is FSCONUZVLCPDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O/c1-3-4-14-29-21-8-7-18(24)15-19(21)17-9-12-28(13-10-17)16-22-26-20-6-5-11-25-23(20)27(22)2/h5-8,11,15,17H,3-4,9-10,12-14,16H2,1-2H3.
What are the key properties of 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine has a molecular weight of 412.97 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25010545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).