1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid

C18H14F7N3O2 — CID 167889452

IUPAC1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCNCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H13F4N3.C2HF3O2/c1-21-8-13-15(10-2-5-12(17)6-3-10)22-14-7-4-11(9-23(13)14)16(18,19)20;3-2(4,5)1(6)7/h2-7,9,21H,8H2,1H3;(H,6,7)
InChIKeyDTBWBDQARCDFOF-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.51
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid

1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 167889452) has the molecular formula C18H14F7N3O2 and a molecular weight of 437.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID167889452
Molecular FormulaC18H14F7N3O2
Molecular Weight437.32 g/mol
Exact Mass437.10
IUPAC Name1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCNCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H13F4N3.C2HF3O2/c1-21-8-13-15(10-2-5-12(17)6-3-10)22-14-7-4-11(9-23(13)14)16(18,19)20;3-2(4,5)1(6)7/h2-7,9,21H,8H2,1H3;(H,6,7)
InChIKeyDTBWBDQARCDFOF-UHFFFAOYSA-N
XLogP4.51
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
CID 167759148
N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide
CID 136575533
1-[2-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 84711114
2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82356180
N-methyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 70326815
2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
CID 146109431
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060793
3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195767
3-(chloromethyl)-6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67030270
[2-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82223814
[2-(4-tert-butylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid (CID 167889452) is 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid is CNCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is DTBWBDQARCDFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3.C2HF3O2/c1-21-8-13-15(10-2-5-12(17)6-3-10)22-14-7-4-11(9-23(13)14)16(18,19)20;3-2(4,5)1(6)7/h2-7,9,21H,8H2,1H3;(H,6,7).
What are the key properties of 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 437.32 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167889452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).