1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone

C24H27F2N3O3 — CID 167631997

IUPAC1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
SMILESCOc1cc(-c2cnc3cc(C(C)(C)CN)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C24H27F2N3O3/c1-24(2,13-27)16-6-7-29-17(12-28-21(29)11-16)15-9-19(31-3)22(18(30)8-14-4-5-14)20(10-15)32-23(25)26/h6-7,9-12,14,23H,4-5,8,13,27H2,1-3H3
InChIKeyNYAGGQPLYZYUIS-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.83
Rot. Bonds9

About 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone

1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone (PubChem CID 167631997) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
PubChem CID167631997
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
SMILESCOc1cc(-c2cnc3cc(C(C)(C)CN)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C24H27F2N3O3/c1-24(2,13-27)16-6-7-29-17(12-28-21(29)11-16)15-9-19(31-3)22(18(30)8-14-4-5-14)20(10-15)32-23(25)26/h6-7,9-12,14,23H,4-5,8,13,27H2,1-3H3
InChIKeyNYAGGQPLYZYUIS-UHFFFAOYSA-N
XLogP4.83
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[4-[7-[(1S)-1-cyclopropyl-1-hydroxyethyl]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
CID 167621196
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167688915
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(2-isocyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167663154
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(2-hydroxybutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167584400
methyl 2-cyano-2-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]propanoate
CID 167642854
1-[4-[7-(2-aminopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone;2-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanamide;2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(2-isocyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167663153
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167591166
1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
CID 167708674
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
3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxy-2,2-dimethylpropanenitrile
CID 167675422
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167703173
2-[3-[4-(3-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
CID 167627656

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
The IUPAC name of 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone (CID 167631997) is 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
The canonical SMILES for 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone is COc1cc(-c2cnc3cc(C(C)(C)CN)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.
What is the InChIKey of 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
The InChIKey is NYAGGQPLYZYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-24(2,13-27)16-6-7-29-17(12-28-21(29)11-16)15-9-19(31-3)22(18(30)8-14-4-5-14)20(10-15)32-23(25)26/h6-7,9-12,14,23H,4-5,8,13,27H2,1-3H3.
What are the key properties of 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone has a molecular weight of 443.49 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(1-amino-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone is sourced from PubChem (CID 167631997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).