1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone

C27H21F2N3O2 — CID 159838193

IUPAC1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone
SMILESCc1ccc2cccnc2c1CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C27H21F2N3O2/c1-16-10-11-18-6-4-12-30-25(18)19(16)14-23(33)26-17(2)31-27-24(9-5-13-32(26)27)34-15-20-21(28)7-3-8-22(20)29/h3-13H,14-15H2,1-2H3
InChIKeyNOIRZFFHASRMCK-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.78
Rot. Bonds6

About 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone

1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone (PubChem CID 159838193) has the molecular formula C27H21F2N3O2 and a molecular weight of 457.48 g/mol. Its IUPAC name is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone.

Molecular Properties

Compound Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone
PubChem CID159838193
Molecular FormulaC27H21F2N3O2
Molecular Weight457.48 g/mol
Exact Mass457.16
IUPAC Name1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone
SMILESCc1ccc2cccnc2c1CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12
InChIInChI=1S/C27H21F2N3O2/c1-16-10-11-18-6-4-12-30-25(18)19(16)14-23(33)26-17(2)31-27-24(9-5-13-32(26)27)34-15-20-21(28)7-3-8-22(20)29/h3-13H,14-15H2,1-2H3
InChIKeyNOIRZFFHASRMCK-UHFFFAOYSA-N
XLogP5.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone?
The IUPAC name of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone (CID 159838193) is 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone.
What is the SMILES notation for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone?
The canonical SMILES for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone is Cc1ccc2cccnc2c1CC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cccn12.
What is the InChIKey of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone?
The InChIKey is NOIRZFFHASRMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O2/c1-16-10-11-18-6-4-12-30-25(18)19(16)14-23(33)26-17(2)31-27-24(9-5-13-32(26)27)34-15-20-21(28)7-3-8-22(20)29/h3-13H,14-15H2,1-2H3.
What are the key properties of 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone?
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone has a molecular weight of 457.48 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(7-methylquinolin-8-yl)ethanone is sourced from PubChem (CID 159838193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).