2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile

C20H19F2N3O — CID 174364506

IUPAC2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
SMILESCc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C
InChIInChI=1S/C20H19F2N3O/c1-12-7-14(8-17(13(12)2)26-19(21)22)16-10-24-18-9-15(5-6-25(16)18)20(3,4)11-23/h5-10,19H,1-4H3
InChIKeyTXOXCTAEYKXNSV-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.02
Rot. Bonds4

About 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile

2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile (PubChem CID 174364506) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
PubChem CID174364506
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
SMILESCc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C
InChIInChI=1S/C20H19F2N3O/c1-12-7-14(8-17(13(12)2)26-19(21)22)16-10-24-18-9-15(5-6-25(16)18)20(3,4)11-23/h5-10,19H,1-4H3
InChIKeyTXOXCTAEYKXNSV-UHFFFAOYSA-N
XLogP5.02
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzoic acid
CID 155349483
4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(1,1-difluoropropan-2-yl)-6-methoxybenzamide
CID 155727448
2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
CID 155340552
4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155349441
2-[3-[4-(3-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
CID 167627656
4-[7-(1-amino-2-methyl-1-oxopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxybenzoic acid;4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxybenzoic acid;methyl 4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxybenzoate
CID 167662104
7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
CID 174363759
methyl 2-cyano-2-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]propanoate
CID 167642854
2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile
CID 155349593
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 166009657
1-[2-(difluoromethoxy)-4-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
CID 167626094
1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
CID 167631997

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile (CID 174364506) is 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile is Cc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C.
What is the InChIKey of 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
The InChIKey is TXOXCTAEYKXNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-12-7-14(8-17(13(12)2)26-19(21)22)16-10-24-18-9-15(5-6-25(16)18)20(3,4)11-23/h5-10,19H,1-4H3.
What are the key properties of 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile has a molecular weight of 355.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile is sourced from PubChem (CID 174364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).