8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C26H17F5N4O2 — CID 118144908

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C26H17F5N4O2/c1-14-23(25(36)34-20-9-10-32-21-12-15(26(29,30)31)7-8-16(20)21)35-11-3-6-22(24(35)33-14)37-13-17-18(27)4-2-5-19(17)28/h2-12H,13H2,1H3,(H,32,34,36)
InChIKeyXQVGSAWBOOKGSJ-UHFFFAOYSA-N
MW512.44 g/mol
LogP6.32
Rot. Bonds5

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144908) has the molecular formula C26H17F5N4O2 and a molecular weight of 512.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118144908
Molecular FormulaC26H17F5N4O2
Molecular Weight512.44 g/mol
Exact Mass512.13
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C26H17F5N4O2/c1-14-23(25(36)34-20-9-10-32-21-12-15(26(29,30)31)7-8-16(20)21)35-11-3-6-22(24(35)33-14)37-13-17-18(27)4-2-5-19(17)28/h2-12H,13H2,1H3,(H,32,34,36)
InChIKeyXQVGSAWBOOKGSJ-UHFFFAOYSA-N
XLogP6.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.44
LogP ≤ 56.32
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]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118144908) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XQVGSAWBOOKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F5N4O2/c1-14-23(25(36)34-20-9-10-32-21-12-15(26(29,30)31)7-8-16(20)21)35-11-3-6-22(24(35)33-14)37-13-17-18(27)4-2-5-19(17)28/h2-12H,13H2,1H3,(H,32,34,36).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 512.44 g/mol, XLogP of 6.32, 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]-2-methyl-N-[7-(trifluoromethyl)quinolin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).