1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

C132H198N34O13S2 — CID 157255170

IUPAC1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESCC(C)C(=O)N1CCc2cn[nH]c2C1.CC(C)C(=O)N1CCc2nc(C3CC3)sc2C1.CC(C)C(=O)N1CCc2oncc2C1.CC(C)C(=O)N1CCn2c(Cc3ccccc3)cnc2C1.CC(C)C(=O)N1CCn2c(nnc2C(=O)NC(C)(C)C)C1.CC(C)C(=O)N1CCn2cccc2C1C.Cc1cnc2n1CCN(C(=O)C(C)C)C2C.Cc1nc2c(s1)CN(C(=O)C(C)C)CC2.Cc1nc2n(n1)CCN(C(=O)C(C)C)C2.Cc1nnc2n1C(C)(C)CN(C(=O)C(C)C)C2.Cc1nnc2n1C(C)CN(C(=O)C(C)C)C2
InChIInChI=1S/C17H21N3O.C14H23N5O2.C13H18N2OS.C12H20N4O.C12H19N3O.C12H18N2O.C11H18N4O.C11H16N2OS.C10H16N4O.C10H15N3O.C10H14N2O2/c1-13(2)17(21)19-8-9-20-15(11-18-16(20)12-19)10-14-6-4-3-5-7-14;1-9(2)13(21)18-6-7-19-10(8-18)16-17-11(19)12(20)15-14(3,4)5;1-8(2)13(16)15-6-5-10-11(7-15)17-12(14-10)9-3-4-9;1-8(2)11(17)15-6-10-14-13-9(3)16(10)12(4,5)7-15;1-8(2)12(16)15-6-5-14-9(3)7-13-11(14)10(15)4;1-9(2)12(15)14-8-7-13-6-4-5-11(13)10(14)3;1-7(2)11(16)14-5-8(3)15-9(4)12-13-10(15)6-14;1-7(2)11(14)13-5-4-9-10(6-13)15-8(3)12-9;1-7(2)10(15)13-4-5-14-9(6-13)11-8(3)12-14;1-7(2)10(14)13-4-3-8-5-11-12-9(8)6-13;1-7(2)10(13)12-4-3-9-8(6-12)5-11-14-9/h3-7,11,13H,8-10,12H2,1-2H3;9H,6-8H2,1-5H3,(H,15,20);8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3;7-8,10H,5-6H2,1-4H3;4-6,9-10H,7-8H2,1-3H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,11,12);5,7H,3-4,6H2,1-2H3
InChIKeyAWUNMEFGDLZUFF-UHFFFAOYSA-N
MW2533.39 g/mol
LogP16.84
Rot. Bonds15

About 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (PubChem CID 157255170) has the molecular formula C132H198N34O13S2 and a molecular weight of 2533.39 g/mol. Its IUPAC name is 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
PubChem CID157255170
Molecular FormulaC132H198N34O13S2
Molecular Weight2533.39 g/mol
Exact Mass2531.53
IUPAC Name1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESCC(C)C(=O)N1CCc2cn[nH]c2C1.CC(C)C(=O)N1CCc2nc(C3CC3)sc2C1.CC(C)C(=O)N1CCc2oncc2C1.CC(C)C(=O)N1CCn2c(Cc3ccccc3)cnc2C1.CC(C)C(=O)N1CCn2c(nnc2C(=O)NC(C)(C)C)C1.CC(C)C(=O)N1CCn2cccc2C1C.Cc1cnc2n1CCN(C(=O)C(C)C)C2C.Cc1nc2c(s1)CN(C(=O)C(C)C)CC2.Cc1nc2n(n1)CCN(C(=O)C(C)C)C2.Cc1nnc2n1C(C)(C)CN(C(=O)C(C)C)C2.Cc1nnc2n1C(C)CN(C(=O)C(C)C)C2
InChIInChI=1S/C17H21N3O.C14H23N5O2.C13H18N2OS.C12H20N4O.C12H19N3O.C12H18N2O.C11H18N4O.C11H16N2OS.C10H16N4O.C10H15N3O.C10H14N2O2/c1-13(2)17(21)19-8-9-20-15(11-18-16(20)12-19)10-14-6-4-3-5-7-14;1-9(2)13(21)18-6-7-19-10(8-18)16-17-11(19)12(20)15-14(3,4)5;1-8(2)13(16)15-6-5-10-11(7-15)17-12(14-10)9-3-4-9;1-8(2)11(17)15-6-10-14-13-9(3)16(10)12(4,5)7-15;1-8(2)12(16)15-6-5-14-9(3)7-13-11(14)10(15)4;1-9(2)12(15)14-8-7-13-6-4-5-11(13)10(14)3;1-7(2)11(16)14-5-8(3)15-9(4)12-13-10(15)6-14;1-7(2)11(14)13-5-4-9-10(6-13)15-8(3)12-9;1-7(2)10(15)13-4-5-14-9(6-13)11-8(3)12-14;1-7(2)10(14)13-4-3-8-5-11-12-9(8)6-13;1-7(2)10(13)12-4-3-9-8(6-12)5-11-14-9/h3-7,11,13H,8-10,12H2,1-2H3;9H,6-8H2,1-5H3,(H,15,20);8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3;7-8,10H,5-6H2,1-4H3;4-6,9-10H,7-8H2,1-3H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,11,12);5,7H,3-4,6H2,1-2H3
InChIKeyAWUNMEFGDLZUFF-UHFFFAOYSA-N
XLogP16.84
TPSA496.41 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds15
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002533.39
LogP ≤ 516.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one
CID 160902476
(2S)-N-[6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyrazin-2-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[6-[5-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyrazin-2-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[2-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide;N-[2-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide
CID 161069719
1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole
CID 157170635
CID 157272391
CID 157272391
propan-2-ylcyclohexane;1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
CID 157534904
cumene;4-methyl-1-propan-2-ylimidazole;5-methyl-2-propan-2-yl-4H-imidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157585013
1-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-3-methylbutan-1-one;1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylbutan-1-one;1-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)-3-methylbutan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-methylbutan-1-one;1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-methylbutan-1-one;1-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-methylbutan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-methylbutan-1-one;3-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butan-1-one;3-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)butan-1-one
CID 157793915
butane;butan-2-one;methoxymethane;methyl acetate;3-methylazetidine;2-methyl-1,3-benzothiazole;methylcyclohexane;6-methylimidazo[1,2-b]pyridazine;4-methyloxane;4-methyl-1,2-oxazole;4-methylpiperidine;5-methyl-1H-pyrazole;2-methylpyridine;bis(3-methylpyridine);4-methyl-1H-pyridin-2-one;4-methylpyrimidine;3-methyl-1H-pyrrole;1-methylpyrrolidine;(3S)-3-methylpyrrolidine;2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 157803580
tert-butylbenzene;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157988527
N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine
CID 158101215
1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
CID 158526642
2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole
CID 158538660

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The IUPAC name of 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (CID 157255170) is 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The canonical SMILES for 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is CC(C)C(=O)N1CCc2cn[nH]c2C1.CC(C)C(=O)N1CCc2nc(C3CC3)sc2C1.CC(C)C(=O)N1CCc2oncc2C1.CC(C)C(=O)N1CCn2c(Cc3ccccc3)cnc2C1.CC(C)C(=O)N1CCn2c(nnc2C(=O)NC(C)(C)C)C1.CC(C)C(=O)N1CCn2cccc2C1C.Cc1cnc2n1CCN(C(=O)C(C)C)C2C.Cc1nc2c(s1)CN(C(=O)C(C)C)CC2.Cc1nc2n(n1)CCN(C(=O)C(C)C)C2.Cc1nnc2n1C(C)(C)CN(C(=O)C(C)C)C2.Cc1nnc2n1C(C)CN(C(=O)C(C)C)C2.
What is the InChIKey of 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The InChIKey is AWUNMEFGDLZUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.C14H23N5O2.C13H18N2OS.C12H20N4O.C12H19N3O.C12H18N2O.C11H18N4O.C11H16N2OS.C10H16N4O.C10H15N3O.C10H14N2O2/c1-13(2)17(21)19-8-9-20-15(11-18-16(20)12-19)10-14-6-4-3-5-7-14;1-9(2)13(21)18-6-7-19-10(8-18)16-17-11(19)12(20)15-14(3,4)5;1-8(2)13(16)15-6-5-10-11(7-15)17-12(14-10)9-3-4-9;1-8(2)11(17)15-6-10-14-13-9(3)16(10)12(4,5)7-15;1-8(2)12(16)15-6-5-14-9(3)7-13-11(14)10(15)4;1-9(2)12(15)14-8-7-13-6-4-5-11(13)10(14)3;1-7(2)11(16)14-5-8(3)15-9(4)12-13-10(15)6-14;1-7(2)11(14)13-5-4-9-10(6-13)15-8(3)12-9;1-7(2)10(15)13-4-5-14-9(6-13)11-8(3)12-14;1-7(2)10(14)13-4-3-8-5-11-12-9(8)6-13;1-7(2)10(13)12-4-3-9-8(6-12)5-11-14-9/h3-7,11,13H,8-10,12H2,1-2H3;9H,6-8H2,1-5H3,(H,15,20);8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3;7-8,10H,5-6H2,1-4H3;4-6,9-10H,7-8H2,1-3H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,11,12);5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one has a molecular weight of 2533.39 g/mol, XLogP of 16.84, 15 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;N-tert-butyl-7-(2-methylpropanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-methylpropan-1-one;1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-methylpropan-1-one;1-(3,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropan-1-one;1-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpropan-1-one;2-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;2-methyl-1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one;2-methyl-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)propan-1-one;2-methyl-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one;2-methyl-1-(3,5,5-trimethyl-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 157255170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).