N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C25H21F4N3O2 — CID 163202255

IUPACN-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C25H21F4N3O2/c1-15-9-10-32-22(11-15)31-16(2)23(32)24(33)30-13-17-3-8-20(21(26)12-17)18-4-6-19(7-5-18)34-14-25(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,33)
InChIKeyOKHUJMGSACXGHY-UHFFFAOYSA-N
MW471.45 g/mol
LogP5.63
Rot. Bonds6

About N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163202255) has the molecular formula C25H21F4N3O2 and a molecular weight of 471.45 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID163202255
Molecular FormulaC25H21F4N3O2
Molecular Weight471.45 g/mol
Exact Mass471.16
IUPAC NameN-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCc3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)c(C)nc2c1
InChIInChI=1S/C25H21F4N3O2/c1-15-9-10-32-22(11-15)31-16(2)23(32)24(33)30-13-17-3-8-20(21(26)12-17)18-4-6-19(7-5-18)34-14-25(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,33)
InChIKeyOKHUJMGSACXGHY-UHFFFAOYSA-N
XLogP5.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]propan-1-one
CID 167630420
2,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274552
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
2,7-dimethyl-N-(2-phenoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134140165
7-ethyl-2-methyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171356527
N-[(3-fluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126710537
2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009979
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161
2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)anilino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 162601668
2,7-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 137001767
7-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202004
2,7-dimethyl-N-[[4-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163297343

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 163202255) is N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)NCc3ccc(-c4ccc(OCC(F)(F)F)cc4)c(F)c3)c(C)nc2c1.
What is the InChIKey of N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OKHUJMGSACXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O2/c1-15-9-10-32-22(11-15)31-16(2)23(32)24(33)30-13-17-3-8-20(21(26)12-17)18-4-6-19(7-5-18)34-14-25(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,33).
What are the key properties of N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 471.45 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163202255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).