2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide

C22H27FN4O — CID 16668541

IUPAC2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)Cc1ccccc1F)c1nc2cccnc2n1C(C)C
InChIInChI=1S/C22H27FN4O/c1-14(2)12-19(25-20(28)13-16-8-5-6-9-17(16)23)22-26-18-10-7-11-24-21(18)27(22)15(3)4/h5-11,14-15,19H,12-13H2,1-4H3,(H,25,28)
InChIKeyMHKPVTIZGYXKIY-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.60
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide

2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide (PubChem CID 16668541) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
PubChem CID16668541
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)Cc1ccccc1F)c1nc2cccnc2n1C(C)C
InChIInChI=1S/C22H27FN4O/c1-14(2)12-19(25-20(28)13-16-8-5-6-9-17(16)23)22-26-18-10-7-11-24-21(18)27(22)15(3)4/h5-11,14-15,19H,12-13H2,1-4H3,(H,25,28)
InChIKeyMHKPVTIZGYXKIY-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 16668805
2-(4-methoxyphenyl)-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide
CID 110219032
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]acetamide
CID 110225703
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 126469518
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
2-methoxy-N-[3-methyl-1-(3-methylimidazo[4,5-b]pyridin-2-yl)butyl]benzamide
CID 16667882
N-[1-(3-ethylimidazo[4,5-b]pyridin-2-yl)-3-methylbutyl]cyclopropanecarboxamide
CID 16674902
3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide
CID 51492642
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide (CID 16668541) is 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide is CC(C)CC(NC(=O)Cc1ccccc1F)c1nc2cccnc2n1C(C)C.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
The InChIKey is MHKPVTIZGYXKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-14(2)12-19(25-20(28)13-16-8-5-6-9-17(16)23)22-26-18-10-7-11-24-21(18)27(22)15(3)4/h5-11,14-15,19H,12-13H2,1-4H3,(H,25,28).
What are the key properties of 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide?
2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide has a molecular weight of 382.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)butyl]acetamide is sourced from PubChem (CID 16668541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).