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

C25H27F2N3O4 — CID 167708674

IUPAC1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
SMILESCOc1cc(-c2cnc3cc(OCC4CC(N)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C25H27F2N3O4/c1-32-21-9-16(10-22(34-25(26)27)24(21)20(31)8-14-2-3-14)19-12-29-23-11-18(4-5-30(19)23)33-13-15-6-17(28)7-15/h4-5,9-12,14-15,17,25H,2-3,6-8,13,28H2,1H3
InChIKeyZMLNZCPWDWUDOZ-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.71
Rot. Bonds10

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

1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone (PubChem CID 167708674) has the molecular formula C25H27F2N3O4 and a molecular weight of 471.50 g/mol. Its IUPAC name is 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
PubChem CID167708674
Molecular FormulaC25H27F2N3O4
Molecular Weight471.50 g/mol
Exact Mass471.20
IUPAC Name1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
SMILESCOc1cc(-c2cnc3cc(OCC4CC(N)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C25H27F2N3O4/c1-32-21-9-16(10-22(34-25(26)27)24(21)20(31)8-14-2-3-14)19-12-29-23-11-18(4-5-30(19)23)33-13-15-6-17(28)7-15/h4-5,9-12,14-15,17,25H,2-3,6-8,13,28H2,1H3
InChIKeyZMLNZCPWDWUDOZ-UHFFFAOYSA-N
XLogP4.71
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(oxolan-3-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167561365
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167640092
2-cyclopropyl-1-[2-(difluoromethoxy)-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxyphenyl]ethanone;2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167680873
3-[[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]piperidine-1-carbaldehyde
CID 167571526
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167703173
3-[(3S)-3-[[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrrolidin-1-yl]propanenitrile
CID 167657483
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167629249
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(1,3-oxazol-4-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167587421
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-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
CID 167569924
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(dimethylamino)butoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167613118
2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
CID 167645780

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
The IUPAC name of 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone (CID 167708674) is 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
The canonical SMILES for 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone is COc1cc(-c2cnc3cc(OCC4CC(N)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.
What is the InChIKey of 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
The InChIKey is ZMLNZCPWDWUDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4/c1-32-21-9-16(10-22(34-25(26)27)24(21)20(31)8-14-2-3-14)19-12-29-23-11-18(4-5-30(19)23)33-13-15-6-17(28)7-15/h4-5,9-12,14-15,17,25H,2-3,6-8,13,28H2,1H3.
What are the key properties of 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone?
1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone has a molecular weight of 471.50 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone is sourced from PubChem (CID 167708674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).