N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide

C24H23FN4O2 — CID 130359828

IUPACN-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-15-4-6-16(7-5-15)14-21(30)28-23-26-19-12-13-20(24(2,3)31)27-22(19)29(23)18-10-8-17(25)9-11-18/h4-13,31H,14H2,1-3H3,(H,26,28,30)
InChIKeyIZOBCUDTRJXQPS-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.28
Rot. Bonds5

About N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide

N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 130359828) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID130359828
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-15-4-6-16(7-5-15)14-21(30)28-23-26-19-12-13-20(24(2,3)31)27-22(19)29(23)18-10-8-17(25)9-11-18/h4-13,31H,14H2,1-3H3,(H,26,28,30)
InChIKeyIZOBCUDTRJXQPS-UHFFFAOYSA-N
XLogP4.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-Amino-2-butylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid
CID 15015214
2-(3,5-difluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
CID 49857830
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-phenylpropan-1-one
CID 58178766
(2R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-phenylethanone
CID 58178827
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2,2-diphenylethanone
CID 58178858
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-phenylethanone
CID 58179188
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
CID 58179236
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxyethanone
CID 58179260
(2S)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-phenylethanone
CID 58179384
1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-hydroxy-2-(3-methylphenyl)ethanone
CID 58179393
3-[(4,4-difluorocyclohexyl)methyl]-2-(2-hydroxypropan-2-yl)-5-methyl-N-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 118112864
N-[1-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938389

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide (CID 130359828) is N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is IZOBCUDTRJXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15-4-6-16(7-5-15)14-21(30)28-23-26-19-12-13-20(24(2,3)31)27-22(19)29(23)18-10-8-17(25)9-11-18/h4-13,31H,14H2,1-3H3,(H,26,28,30).
What are the key properties of N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide?
N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 418.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 130359828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).