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

C26H19F3N4O2 — CID 118142818

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)Nc3ccnc4c(F)cccc34)n2c1
InChIInChI=1S/C26H19F3N4O2/c1-14-11-22(35-13-17-18(27)6-4-7-19(17)28)25-31-15(2)24(33(25)12-14)26(34)32-21-9-10-30-23-16(21)5-3-8-20(23)29/h3-12H,13H2,1-2H3,(H,30,32,34)
InChIKeyBEPQOBNNVJSZPF-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.75
Rot. Bonds5

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

8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118142818) has the molecular formula C26H19F3N4O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118142818
Molecular FormulaC26H19F3N4O2
Molecular Weight476.46 g/mol
Exact Mass476.15
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)Nc3ccnc4c(F)cccc34)n2c1
InChIInChI=1S/C26H19F3N4O2/c1-14-11-22(35-13-17-18(27)6-4-7-19(17)28)25-31-15(2)24(33(25)12-14)26(34)32-21-9-10-30-23-16(21)5-3-8-20(23)29/h3-12H,13H2,1-2H3,(H,30,32,34)
InChIKeyBEPQOBNNVJSZPF-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-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 118142818) is 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)Nc3ccnc4c(F)cccc34)n2c1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BEPQOBNNVJSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2/c1-14-11-22(35-13-17-18(27)6-4-7-19(17)28)25-31-15(2)24(33(25)12-14)26(34)32-21-9-10-30-23-16(21)5-3-8-20(23)29/h3-12H,13H2,1-2H3,(H,30,32,34).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-(8-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-(8-fluoroquinolin-4-yl)-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118142818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).