8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline

C24H22F3N5O — CID 166011947

IUPAC8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc(-c2cnc3cc(-c4ccc(C)nn4)ccn23)cc2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C24H22F3N5O/c1-15-3-4-20(30-29-15)17-6-8-32-21(12-28-23(32)11-17)18-9-16-5-7-31(14-24(25,26)27)13-19(16)22(10-18)33-2/h3-4,6,8-12H,5,7,13-14H2,1-2H3
InChIKeyBKYHTZXCNQLQPB-UHFFFAOYSA-N
MW453.47 g/mol
LogP4.70
Rot. Bonds4

About 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline

8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 166011947) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID166011947
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc(-c2cnc3cc(-c4ccc(C)nn4)ccn23)cc2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C24H22F3N5O/c1-15-3-4-20(30-29-15)17-6-8-32-21(12-28-23(32)11-17)18-9-16-5-7-31(14-24(25,26)27)13-19(16)22(10-18)33-2/h3-4,6,8-12H,5,7,13-14H2,1-2H3
InChIKeyBKYHTZXCNQLQPB-UHFFFAOYSA-N
XLogP4.70
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

8-methoxy-6-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 151186168
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 154636406
8-methoxy-6-(7-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 170259192
8-methoxy-6-[7-[3-(methoxymethyl)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 170259185
tert-butyl 3-[[3-[8-methoxy-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-6-yl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]-3-methylazetidine-1-carboxylate
CID 146273350
8-methoxy-6-[7-[[(2S)-4-methylmorpholin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 146273286
CID 167657219
CID 167657219
2-(2,2-difluoroethyl)-6-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-8-methoxy-3,4-dihydroisoquinolin-1-one
CID 146273304
2,6-dimethoxy-4-[7-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 154636341
4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 155727737
7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
CID 174363759
tert-butyl 5-[3-(3,5-dimethoxy-4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174362621

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline (CID 166011947) is 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline is COc1cc(-c2cnc3cc(-c4ccc(C)nn4)ccn23)cc2c1CN(CC(F)(F)F)CC2.
What is the InChIKey of 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is BKYHTZXCNQLQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-15-3-4-20(30-29-15)17-6-8-32-21(12-28-23(32)11-17)18-9-16-5-7-31(14-24(25,26)27)13-19(16)22(10-18)33-2/h3-4,6,8-12H,5,7,13-14H2,1-2H3.
What are the key properties of 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline?
8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 453.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166011947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).