[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C26H24BrFN4O — CID 146638471

IUPAC[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2ccccc2CCN1C(=O)c1cc(N(C)C)c2nc(-c3ccc(Br)cc3F)cn2c1
InChIInChI=1S/C26H24BrFN4O/c1-16-20-7-5-4-6-17(20)10-11-32(16)26(33)18-12-24(30(2)3)25-29-23(15-31(25)14-18)21-9-8-19(27)13-22(21)28/h4-9,12-16H,10-11H2,1-3H3
InChIKeyPYIZQCXEDYQSOM-UHFFFAOYSA-N
MW507.41 g/mol
LogP5.73
Rot. Bonds3

About [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 146638471) has the molecular formula C26H24BrFN4O and a molecular weight of 507.41 g/mol. Its IUPAC name is [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID146638471
Molecular FormulaC26H24BrFN4O
Molecular Weight507.41 g/mol
Exact Mass506.11
IUPAC Name[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2ccccc2CCN1C(=O)c1cc(N(C)C)c2nc(-c3ccc(Br)cc3F)cn2c1
InChIInChI=1S/C26H24BrFN4O/c1-16-20-7-5-4-6-17(20)10-11-32(16)26(33)18-12-24(30(2)3)25-29-23(15-31(25)14-18)21-9-8-19(27)13-22(21)28/h4-9,12-16H,10-11H2,1-3H3
InChIKeyPYIZQCXEDYQSOM-UHFFFAOYSA-N
XLogP5.73
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 146638162
1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]pyrazole-4-carboxamide
CID 156778434
[8-cyclopropyl-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 146638106
ethyl (E)-3-[4-[8-cyclopropyl-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]prop-2-enoate
CID 146638146
1-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-a]pyridin-2-yl]-3-fluorophenyl]-N-methylsulfonylazetidine-3-carboxamide
CID 146638104
[2-(2-fluorophenyl)-8-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl]-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 146638757
furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 53194905
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
CID 163904774
CID 163904774
6-[4-[7-ethyl-5-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyridine-3-carboxylic acid
CID 134431106
(3R)-N-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-b]pyridazin-2-yl]-3-fluorophenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 146596203
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 146638471) is [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1c2ccccc2CCN1C(=O)c1cc(N(C)C)c2nc(-c3ccc(Br)cc3F)cn2c1.
What is the InChIKey of [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is PYIZQCXEDYQSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN4O/c1-16-20-7-5-4-6-17(20)10-11-32(16)26(33)18-12-24(30(2)3)25-29-23(15-31(25)14-18)21-9-8-19(27)13-22(21)28/h4-9,12-16H,10-11H2,1-3H3.
What are the key properties of [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 507.41 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 146638471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).