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

C27H31F2N3O5 — CID 167670192

IUPAC2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOC(C)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C27H31F2N3O5/c1-17-16-31(7-9-35-17)8-10-36-20-5-6-32-21(15-30-25(32)14-20)19-12-23(34-2)26(22(33)11-18-3-4-18)24(13-19)37-27(28)29/h5-6,12-15,17-18,27H,3-4,7-11,16H2,1-2H3
InChIKeyTZILNVSZWFBTTE-UHFFFAOYSA-N
MW515.56 g/mol
LogP4.69
Rot. Bonds11

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

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (PubChem CID 167670192) has the molecular formula C27H31F2N3O5 and a molecular weight of 515.56 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
PubChem CID167670192
Molecular FormulaC27H31F2N3O5
Molecular Weight515.56 g/mol
Exact Mass515.22
IUPAC Name2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOC(C)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C27H31F2N3O5/c1-17-16-31(7-9-35-17)8-10-36-20-5-6-32-21(15-30-25(32)14-20)19-12-23(34-2)26(22(33)11-18-3-4-18)24(13-19)37-27(28)29/h5-6,12-15,17-18,27H,3-4,7-11,16H2,1-2H3
InChIKeyTZILNVSZWFBTTE-UHFFFAOYSA-N
XLogP4.69
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.56
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone (CID 167670192) is 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is COc1cc(-c2cnc3cc(OCCN4CCOC(C)C4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
The InChIKey is TZILNVSZWFBTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O5/c1-17-16-31(7-9-35-17)8-10-36-20-5-6-32-21(15-30-25(32)14-20)19-12-23(34-2)26(22(33)11-18-3-4-18)24(13-19)37-27(28)29/h5-6,12-15,17-18,27H,3-4,7-11,16H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone?
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone has a molecular weight of 515.56 g/mol, XLogP of 4.69, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone is sourced from PubChem (CID 167670192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).