methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate

C24H25F2N3O3 — CID 72720582

IUPACmethyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate
SMILESCOC(=O)CN1CC=C(c2ccc3nc(C)c(Cc4ccccc4OC(F)F)n3c2)CC1
InChIInChI=1S/C24H25F2N3O3/c1-16-20(13-18-5-3-4-6-21(18)32-24(25)26)29-14-19(7-8-22(29)27-16)17-9-11-28(12-10-17)15-23(30)31-2/h3-9,14,24H,10-13,15H2,1-2H3
InChIKeySAXHVAWFKCNIFU-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.10
Rot. Bonds7

About methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate

methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate (PubChem CID 72720582) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate
PubChem CID72720582
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Namemethyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate
SMILESCOC(=O)CN1CC=C(c2ccc3nc(C)c(Cc4ccccc4OC(F)F)n3c2)CC1
InChIInChI=1S/C24H25F2N3O3/c1-16-20(13-18-5-3-4-6-21(18)32-24(25)26)29-14-19(7-8-22(29)27-16)17-9-11-28(12-10-17)15-23(30)31-2/h3-9,14,24H,10-13,15H2,1-2H3
InChIKeySAXHVAWFKCNIFU-UHFFFAOYSA-N
XLogP4.10
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate (CID 72720582) is methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate is COC(=O)CN1CC=C(c2ccc3nc(C)c(Cc4ccccc4OC(F)F)n3c2)CC1.
What is the InChIKey of methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate?
The InChIKey is SAXHVAWFKCNIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-16-20(13-18-5-3-4-6-21(18)32-24(25)26)29-14-19(7-8-22(29)27-16)17-9-11-28(12-10-17)15-23(30)31-2/h3-9,14,24H,10-13,15H2,1-2H3.
What are the key properties of methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate?
methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate has a molecular weight of 441.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate is sourced from PubChem (CID 72720582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).