8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C26H19F3N4O2 — CID 118142816

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)Nc3ccnc4ccc(F)cc34)n2c1
InChIInChI=1S/C26H19F3N4O2/c1-14-10-23(35-13-18-19(28)4-3-5-20(18)29)25-31-15(2)24(33(25)12-14)26(34)32-22-8-9-30-21-7-6-16(27)11-17(21)22/h3-12H,13H2,1-2H3,(H,30,32,34)
InChIKeyCHRJZHRIFFEXIV-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.75
Rot. Bonds5

About 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118142816) has the molecular formula C26H19F3N4O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118142816
Molecular FormulaC26H19F3N4O2
Molecular Weight476.46 g/mol
Exact Mass476.15
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)Nc3ccnc4ccc(F)cc34)n2c1
InChIInChI=1S/C26H19F3N4O2/c1-14-10-23(35-13-18-19(28)4-3-5-20(18)29)25-31-15(2)24(33(25)12-14)26(34)32-22-8-9-30-21-7-6-16(27)11-17(21)22/h3-12H,13H2,1-2H3,(H,30,32,34)
InChIKeyCHRJZHRIFFEXIV-UHFFFAOYSA-N
XLogP5.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 118142816) is 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)Nc3ccnc4ccc(F)cc34)n2c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CHRJZHRIFFEXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2/c1-14-10-23(35-13-18-19(28)4-3-5-20(18)29)25-31-15(2)24(33(25)12-14)26(34)32-22-8-9-30-21-7-6-16(27)11-17(21)22/h3-12H,13H2,1-2H3,(H,30,32,34).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-(6-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118142816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).