N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide

C25H24ClFN4O — CID 174235355

IUPACN-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCc1cnc2c(c1)nc(CCC(=O)NC(C)c1ccc(Cl)cc1)n2Cc1ccc(F)cc1
InChIInChI=1S/C25H24ClFN4O/c1-16-13-22-25(28-14-16)31(15-18-3-9-21(27)10-4-18)23(30-22)11-12-24(32)29-17(2)19-5-7-20(26)8-6-19/h3-10,13-14,17H,11-12,15H2,1-2H3,(H,29,32)
InChIKeyIRYKYEGYMCUUNG-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.39
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide

N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 174235355) has the molecular formula C25H24ClFN4O and a molecular weight of 450.95 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID174235355
Molecular FormulaC25H24ClFN4O
Molecular Weight450.95 g/mol
Exact Mass450.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCc1cnc2c(c1)nc(CCC(=O)NC(C)c1ccc(Cl)cc1)n2Cc1ccc(F)cc1
InChIInChI=1S/C25H24ClFN4O/c1-16-13-22-25(28-14-16)31(15-18-3-9-21(27)10-4-18)23(30-22)11-12-24(32)29-17(2)19-5-7-20(26)8-6-19/h3-10,13-14,17H,11-12,15H2,1-2H3,(H,29,32)
InChIKeyIRYKYEGYMCUUNG-UHFFFAOYSA-N
XLogP5.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(1,1-difluoroethoxy)phenyl]methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485104
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445752
3-[3-[(4-bromophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
CID 174235379
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 122445690
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-phenylmethoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445615
N-[1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethyl]-3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 145133130
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide
CID 174235367
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-[4-[(dipropylamino)methyl]phenyl]ethyl]propanamide
CID 122485106
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-[4-(3-methylpiperazin-1-yl)phenyl]ethyl]propanamide
CID 122445537
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-[4-[(3S)-3-methylpiperazin-1-yl]phenyl]ethyl]propanamide
CID 122445535
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 174235385
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 122445707

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide (CID 174235355) is N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide is Cc1cnc2c(c1)nc(CCC(=O)NC(C)c1ccc(Cl)cc1)n2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is IRYKYEGYMCUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O/c1-16-13-22-25(28-14-16)31(15-18-3-9-21(27)10-4-18)23(30-22)11-12-24(32)29-17(2)19-5-7-20(26)8-6-19/h3-10,13-14,17H,11-12,15H2,1-2H3,(H,29,32).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide?
N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 450.95 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-[3-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 174235355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).