2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one

C51H65BrN12O4 — CID 161019278

IUPAC2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one
SMILESCC(C)(C)OC(=O)N1CCNCC1.Cc1cccnc1C1CC(=O)CC(c2cn3c(Br)cccc3n2)N1C.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCNCC4)cccc3n2)N1C
InChIInChI=1S/C23H28N6O.C19H19BrN4O.C9H18N2O2/c1-16-5-4-8-25-23(16)20-14-17(30)13-19(27(20)2)18-15-29-21(26-18)6-3-7-22(29)28-11-9-24-10-12-28;1-12-5-4-8-21-19(12)16-10-13(25)9-15(23(16)2)14-11-24-17(20)6-3-7-18(24)22-14;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h3-8,15,19-20,24H,9-14H2,1-2H3;3-8,11,15-16H,9-10H2,1-2H3;10H,4-7H2,1-3H3
InChIKeyTYDMGXXMDBRJES-UHFFFAOYSA-N
MW990.06 g/mol
LogP7.23
Rot. Bonds5

About 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one

2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one (PubChem CID 161019278) has the molecular formula C51H65BrN12O4 and a molecular weight of 990.06 g/mol. Its IUPAC name is 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one.

Molecular Properties

Compound Name2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one
PubChem CID161019278
Molecular FormulaC51H65BrN12O4
Molecular Weight990.06 g/mol
Exact Mass988.44
IUPAC Name2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one
SMILESCC(C)(C)OC(=O)N1CCNCC1.Cc1cccnc1C1CC(=O)CC(c2cn3c(Br)cccc3n2)N1C.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCNCC4)cccc3n2)N1C
InChIInChI=1S/C23H28N6O.C19H19BrN4O.C9H18N2O2/c1-16-5-4-8-25-23(16)20-14-17(30)13-19(27(20)2)18-15-29-21(26-18)6-3-7-22(29)28-11-9-24-10-12-28;1-12-5-4-8-21-19(12)16-10-13(25)9-15(23(16)2)14-11-24-17(20)6-3-7-18(24)22-14;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h3-8,15,19-20,24H,9-14H2,1-2H3;3-8,11,15-16H,9-10H2,1-2H3;10H,4-7H2,1-3H3
InChIKeyTYDMGXXMDBRJES-UHFFFAOYSA-N
XLogP7.23
TPSA157.84 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.06
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-[[4-fluoro-4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate
CID 71017036
tert-butyl N-[4-[[4-[4-[2-(1,2-dihydropyridin-2-yl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]-4-fluoropiperidin-1-yl]methyl]-6-methyl-2-pyridinyl]carbamate
CID 143429339
Tert-butyl 4-[[3-amino-2-[3-[5-(5,5,5-trifluoro-2-oxopentyl)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]prop-2-enylidene]amino]piperidine-1-carboxylate
CID 158706014
3-[5-bromo-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;tert-butyl (2S,3R,5S)-5-[3-[5-bromo-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;hydrochloride
CID 159558981
tert-butyl N-[4-[[4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamate
CID 70885066
2-[4-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]ethanamine;tert-butyl N-[2-[4-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]ethyl]carbamate
CID 87629978
[1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]methanamine;tert-butyl N-[[1-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-yl]methyl]carbamate
CID 87630783
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenylpentan-1-amine;1-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-phenylpiperidin-2-one
CID 91483895
tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate;6,7,8-trimethyl-2-[[(2S)-piperidin-2-yl]methyl]imidazo[1,2-a]pyridine
CID 124006436
Tert-butyl 4-[4-[2-(cyclohexylamino)-4-pyridinyl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-6-yl]piperazine-1-carboxylate;tert-butyl 4-[6-[2-(hexan-3-ylamino)-4-pyridinyl]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]piperazine-1-carboxylate
CID 143907939
Ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane
CID 145424514
2-[5-(4-Methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one
CID 145424515

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one?
The IUPAC name of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one (CID 161019278) is 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one.
What is the SMILES notation for 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one?
The canonical SMILES for 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one is CC(C)(C)OC(=O)N1CCNCC1.Cc1cccnc1C1CC(=O)CC(c2cn3c(Br)cccc3n2)N1C.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCNCC4)cccc3n2)N1C.
What is the InChIKey of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one?
The InChIKey is TYDMGXXMDBRJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C19H19BrN4O.C9H18N2O2/c1-16-5-4-8-25-23(16)20-14-17(30)13-19(27(20)2)18-15-29-21(26-18)6-3-7-22(29)28-11-9-24-10-12-28;1-12-5-4-8-21-19(12)16-10-13(25)9-15(23(16)2)14-11-24-17(20)6-3-7-18(24)22-14;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h3-8,15,19-20,24H,9-14H2,1-2H3;3-8,11,15-16H,9-10H2,1-2H3;10H,4-7H2,1-3H3.
What are the key properties of 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one?
2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one has a molecular weight of 990.06 g/mol, XLogP of 7.23, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one is sourced from PubChem (CID 161019278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).