6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine

C24H25BrF3N5O — CID 163229093

IUPAC6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
SMILESC1CCCCC1.NC(=O)c1cnc2ccc(Br)cn12.Nc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C10H7F3N2.C8H6BrN3O.C6H12/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;9-5-1-2-7-11-3-6(8(10)13)12(7)4-5;1-2-4-6-5-3-1/h1-5H,(H2,14,15);1-4H,(H2,10,13);1-6H2
InChIKeyTULXSVQYXHSVEP-UHFFFAOYSA-N
MW536.40 g/mol
LogP6.37
Rot. Bonds1

About 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine

6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine (PubChem CID 163229093) has the molecular formula C24H25BrF3N5O and a molecular weight of 536.40 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
PubChem CID163229093
Molecular FormulaC24H25BrF3N5O
Molecular Weight536.40 g/mol
Exact Mass535.12
IUPAC Name6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
SMILESC1CCCCC1.NC(=O)c1cnc2ccc(Br)cn12.Nc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C10H7F3N2.C8H6BrN3O.C6H12/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;9-5-1-2-7-11-3-6(8(10)13)12(7)4-5;1-2-4-6-5-3-1/h1-5H,(H2,14,15);1-4H,(H2,10,13);1-6H2
InChIKeyTULXSVQYXHSVEP-UHFFFAOYSA-N
XLogP6.37
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.40
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163229806
2-benzyl-1,3-dihydroisoindole-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163228902
cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine
CID 163228896
2-(1,1-difluoroethyl)quinolin-4-amine
CID 170616673
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530
3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898748
4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
CID 22392850
6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide
CID 169217952
3-(6-bromoimidazo[1,2-a]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 72693716
6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;methane
CID 161388743
cyclohexane;6-methyl-2-(trifluoromethyl)quinolin-4-amine;1-(2-propan-2-ylpyrazol-3-yl)ethenamine
CID 163229561
6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-bromo-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide;3,4,5-trimethoxyaniline
CID 161366478

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine (CID 163229093) is 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine is C1CCCCC1.NC(=O)c1cnc2ccc(Br)cn12.Nc1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is TULXSVQYXHSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2.C8H6BrN3O.C6H12/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;9-5-1-2-7-11-3-6(8(10)13)12(7)4-5;1-2-4-6-5-3-1/h1-5H,(H2,14,15);1-4H,(H2,10,13);1-6H2.
What are the key properties of 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine?
6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 536.40 g/mol, XLogP of 6.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 163229093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).