2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone

C26H26F4N2O4 — CID 167569924

IUPAC2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
SMILESCOc1cc(-c2cnc3cc(OCCC4CC(F)(F)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C26H26F4N2O4/c1-34-21-9-17(10-22(36-25(27)28)24(21)20(33)8-15-2-3-15)19-14-31-23-11-18(4-6-32(19)23)35-7-5-16-12-26(29,30)13-16/h4,6,9-11,14-16,25H,2-3,5,7-8,12-13H2,1H3
InChIKeyFTRPFIOFQUUFQY-UHFFFAOYSA-N
MW506.50 g/mol
LogP6.41
Rot. Bonds11

About 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone

2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone (PubChem CID 167569924) has the molecular formula C26H26F4N2O4 and a molecular weight of 506.50 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
PubChem CID167569924
Molecular FormulaC26H26F4N2O4
Molecular Weight506.50 g/mol
Exact Mass506.18
IUPAC Name2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
SMILESCOc1cc(-c2cnc3cc(OCCC4CC(F)(F)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C26H26F4N2O4/c1-34-21-9-17(10-22(36-25(27)28)24(21)20(33)8-15-2-3-15)19-14-31-23-11-18(4-6-32(19)23)35-7-5-16-12-26(29,30)13-16/h4,6,9-11,14-16,25H,2-3,5,7-8,12-13H2,1H3
InChIKeyFTRPFIOFQUUFQY-UHFFFAOYSA-N
XLogP6.41
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.50
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167703173
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
1-[4-[7-[3-(1-azaspiro[3.3]heptan-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
CID 167666458
1-[4-[7-[(3-aminocyclobutyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
CID 167708674
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-[3-(3-hydroxypyrrolidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167691597
1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide
CID 167681650
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)-6-methoxy-4-[7-[3-(4-methylsulfonylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167563460
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167591166
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(2-oxaspiro[3.3]heptan-6-yloxy)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167551155
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone (CID 167569924) is 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone is COc1cc(-c2cnc3cc(OCCC4CC(F)(F)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?
The InChIKey is FTRPFIOFQUUFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N2O4/c1-34-21-9-17(10-22(36-25(27)28)24(21)20(33)8-15-2-3-15)19-14-31-23-11-18(4-6-32(19)23)35-7-5-16-12-26(29,30)13-16/h4,6,9-11,14-16,25H,2-3,5,7-8,12-13H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone?
2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone has a molecular weight of 506.50 g/mol, XLogP of 6.41, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone is sourced from PubChem (CID 167569924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).