6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C26H23BrF4N6O — CID 163201895

IUPAC6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1
InChIInChI=1S/C26H23BrF4N6O/c1-16-24(37-15-19(27)4-7-23(37)34-16)25(38)33-13-17-2-5-21(20(28)12-17)35-8-10-36(11-9-35)22-6-3-18(14-32-22)26(29,30)31/h2-7,12,14-15H,8-11,13H2,1H3,(H,33,38)
InChIKeyZMRXBWFEYYXWLT-UHFFFAOYSA-N
MW591.41 g/mol
LogP5.21
Rot. Bonds5

About 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163201895) has the molecular formula C26H23BrF4N6O and a molecular weight of 591.41 g/mol. Its IUPAC name is 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID163201895
Molecular FormulaC26H23BrF4N6O
Molecular Weight591.41 g/mol
Exact Mass590.11
IUPAC Name6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1
InChIInChI=1S/C26H23BrF4N6O/c1-16-24(37-15-19(27)4-7-23(37)34-16)25(38)33-13-17-2-5-21(20(28)12-17)35-8-10-36(11-9-35)22-6-3-18(14-32-22)26(29,30)31/h2-7,12,14-15H,8-11,13H2,1H3,(H,33,38)
InChIKeyZMRXBWFEYYXWLT-UHFFFAOYSA-N
XLogP5.21
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 129216564
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469411
N-(6-fluoro-2-pyridinyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 67140847
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67402849
7-chloro-2-ethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234864
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(pyridine-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283325
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71293843
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 168277891

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 163201895) is 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1.
What is the InChIKey of 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZMRXBWFEYYXWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrF4N6O/c1-16-24(37-15-19(27)4-7-23(37)34-16)25(38)33-13-17-2-5-21(20(28)12-17)35-8-10-36(11-9-35)22-6-3-18(14-32-22)26(29,30)31/h2-7,12,14-15H,8-11,13H2,1H3,(H,33,38).
What are the key properties of 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 591.41 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163201895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).