6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

C33H36BrF4N7O — CID 158092952

IUPAC6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(CN4CCC(F)(F)CC4)n3c2)cn(C)c1=O.FC1(F)CCN(Cc2cnc3ccc(Br)cn23)CC1
InChIInChI=1S/C20H22F2N4O.C13H14BrF2N3/c1-14-9-16(11-24(2)19(14)27)15-3-4-18-23-10-17(26(18)12-15)13-25-7-5-20(21,22)6-8-25;14-10-1-2-12-17-7-11(19(12)8-10)9-18-5-3-13(15,16)4-6-18/h3-4,9-12H,5-8,13H2,1-2H3;1-2,7-8H,3-6,9H2
InChIKeyFOIDNDKYMLPDTG-UHFFFAOYSA-N
MW702.60 g/mol
LogP6.57
Rot. Bonds5

About 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 158092952) has the molecular formula C33H36BrF4N7O and a molecular weight of 702.60 g/mol. Its IUPAC name is 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID158092952
Molecular FormulaC33H36BrF4N7O
Molecular Weight702.60 g/mol
Exact Mass701.21
IUPAC Name6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(CN4CCC(F)(F)CC4)n3c2)cn(C)c1=O.FC1(F)CCN(Cc2cnc3ccc(Br)cn23)CC1
InChIInChI=1S/C20H22F2N4O.C13H14BrF2N3/c1-14-9-16(11-24(2)19(14)27)15-3-4-18-23-10-17(26(18)12-15)13-25-7-5-20(21,22)6-8-25;14-10-1-2-12-17-7-11(19(12)8-10)9-18-5-3-13(15,16)4-6-18/h3-4,9-12H,5-8,13H2,1-2H3;1-2,7-8H,3-6,9H2
InChIKeyFOIDNDKYMLPDTG-UHFFFAOYSA-N
XLogP6.57
TPSA63.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.60
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 129216564
2-[[1-Ethyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118003167
2-[2-Methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 155531102
[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 139344532
1-[4-[6-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone
CID 139344703
7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 155518991
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 155523222
6-bromo-N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]phenyl]methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 163201895
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5-bromo-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 21050100
(1-Benzyl-4-fluoropiperidin-4-yl)-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050213
[4-(5-Bromo-2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 21050304
[4-Fluoro-1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050373

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (CID 158092952) is 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3ncc(CN4CCC(F)(F)CC4)n3c2)cn(C)c1=O.FC1(F)CCN(Cc2cnc3ccc(Br)cn23)CC1.
What is the InChIKey of 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is FOIDNDKYMLPDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O.C13H14BrF2N3/c1-14-9-16(11-24(2)19(14)27)15-3-4-18-23-10-17(26(18)12-15)13-25-7-5-20(21,22)6-8-25;14-10-1-2-12-17-7-11(19(12)8-10)9-18-5-3-13(15,16)4-6-18/h3-4,9-12H,5-8,13H2,1-2H3;1-2,7-8H,3-6,9H2.
What are the key properties of 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 702.60 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridine;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 158092952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).