3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile

C17H16FN5O — CID 54761053

IUPAC3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile
SMILESCn1c(=O)n(CC(C)(C)F)c2ccc(-c3cnccc3C#N)nc21
InChIInChI=1S/C17H16FN5O/c1-17(2,18)10-23-14-5-4-13(21-15(14)22(3)16(23)24)12-9-20-7-6-11(12)8-19/h4-7,9H,10H2,1-3H3
InChIKeyMVBHNEAKTPWZPZ-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.42
Rot. Bonds3

About 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile

3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile (PubChem CID 54761053) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile
PubChem CID54761053
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile
SMILESCn1c(=O)n(CC(C)(C)F)c2ccc(-c3cnccc3C#N)nc21
InChIInChI=1S/C17H16FN5O/c1-17(2,18)10-23-14-5-4-13(21-15(14)22(3)16(23)24)12-9-20-7-6-11(12)8-19/h4-7,9H,10H2,1-3H3
InChIKeyMVBHNEAKTPWZPZ-UHFFFAOYSA-N
XLogP2.42
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile
CID 54761230
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(isocyanomethyl)benzonitrile
CID 123983604
1-(2,2-dimethylpropyl)-3-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 54761056
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile
CID 149081172
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile
CID 89497472
[(2R,4S)-1-[[4-cyano-3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methyl]-2-(trifluoromethyl)piperidin-4-yl]carbamic acid
CID 89497717
5-[5-(bromomethyl)-2-methylphenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 86691860
1-(2,2-dimethylpropyl)-3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[4,5-b]pyridin-2-one
CID 54761226
1-(2,2-dimethylpropyl)-5-[5-[(1S)-1-hydroxyethyl]-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 86691836
5-[6-(dimethylamino)-3-pyridinyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 54761749
tert-butyl 3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3-pyridinyl]propanoate
CID 146896356
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 54761745

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile (CID 54761053) is 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile is Cn1c(=O)n(CC(C)(C)F)c2ccc(-c3cnccc3C#N)nc21.
What is the InChIKey of 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile?
The InChIKey is MVBHNEAKTPWZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-17(2,18)10-23-14-5-4-13(21-15(14)22(3)16(23)24)12-9-20-7-6-11(12)8-19/h4-7,9H,10H2,1-3H3.
What are the key properties of 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile?
3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile has a molecular weight of 325.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 54761053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).