1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole

C159H264N34O17S4 — CID 157272391

IUPAC1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCC(C)CC(=O)N(C)C1(C)CCCC1.CC(C)CC(=O)N(C)CC1CCC(=O)N1C.CC(C)CC(=O)N(C)CCn1cncn1.CC(C)CC(=O)N(C)Cc1ccn[nH]1.CC(C)CC(=O)N(C)Cc1cscn1.CC(C)CC(=O)N1CCC(C)(O)C1.CC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCc2ccsc2C1.CC(C)CC(=O)N1CCc2cncnc2C1.CC(C)CC(=O)N1CCc2oncc2C1.CC(C)CC(=O)N1CCn2c(nnc2C2CC2)C1.CC(C)Cc1nnco1.CC(C)Cc1nncs1.Cc1nc2c(s1)CN(C(=O)CC(C)C)CC2.Cc1nc2n(n1)CCN(C(=O)CC(C)C)C2C
InChIInChI=1S/C13H20N4O.C12H20N4O.C12H17N3O.C12H22N2O2.C12H18N2OS.C12H17NOS.C12H23NO.C11H16N2O2.C11H21NO.C10H18N4O.C10H17N3O.C10H16N2OS.C10H19NO2.C6H10N2O.C6H10N2S/c1-9(2)7-12(18)16-5-6-17-11(8-16)14-15-13(17)10-3-4-10;1-8(2)7-11(17)15-5-6-16-12(9(15)3)13-10(4)14-16;1-9(2)5-12(16)15-4-3-10-6-13-8-14-11(10)7-15;1-9(2)7-12(16)13(3)8-10-5-6-11(15)14(10)4;1-8(2)6-12(15)14-5-4-10-11(7-14)16-9(3)13-10;1-9(2)7-12(14)13-5-3-10-4-6-15-11(10)8-13;1-10(2)9-11(14)13(4)12(3)7-5-6-8-12;1-8(2)5-11(14)13-4-3-10-9(7-13)6-12-15-10;1-9(2)8-11(13)12-6-4-10(3)5-7-12;1-9(2)6-10(15)13(3)4-5-14-8-11-7-12-14;1-8(2)6-10(14)13(3)7-9-4-5-11-12-9;1-8(2)4-10(13)12(3)5-9-6-14-7-11-9;1-8(2)6-9(12)11-5-4-10(3,13)7-11;2*1-5(2)3-6-8-7-4-9-6/h9-10H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;6,8-9H,3-5,7H2,1-2H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;4,6,9H,3,5,7-8H2,1-2H3;10H,5-9H2,1-4H3;6,8H,3-5,7H2,1-2H3;9-10H,4-8H2,1-3H3;7-9H,4-6H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,11,12);6-8H,4-5H2,1-3H3;8,13H,4-7H2,1-3H3;2*4-5H,3H2,1-2H3
InChIKeyAYRPYCPDXIVZPM-UHFFFAOYSA-N
MW3052.35 g/mol
LogP25.74
Rot. Bonds41

About 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole

1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole (PubChem CID 157272391) has the molecular formula C159H264N34O17S4 and a molecular weight of 3052.35 g/mol. Its IUPAC name is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole
PubChem CID157272391
Molecular FormulaC159H264N34O17S4
Molecular Weight3052.35 g/mol
Exact Mass3049.97
IUPAC Name1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole
SMILESCC(C)CC(=O)N(C)C1(C)CCCC1.CC(C)CC(=O)N(C)CC1CCC(=O)N1C.CC(C)CC(=O)N(C)CCn1cncn1.CC(C)CC(=O)N(C)Cc1ccn[nH]1.CC(C)CC(=O)N(C)Cc1cscn1.CC(C)CC(=O)N1CCC(C)(O)C1.CC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCc2ccsc2C1.CC(C)CC(=O)N1CCc2cncnc2C1.CC(C)CC(=O)N1CCc2oncc2C1.CC(C)CC(=O)N1CCn2c(nnc2C2CC2)C1.CC(C)Cc1nnco1.CC(C)Cc1nncs1.Cc1nc2c(s1)CN(C(=O)CC(C)C)CC2.Cc1nc2n(n1)CCN(C(=O)CC(C)C)C2C
InChIInChI=1S/C13H20N4O.C12H20N4O.C12H17N3O.C12H22N2O2.C12H18N2OS.C12H17NOS.C12H23NO.C11H16N2O2.C11H21NO.C10H18N4O.C10H17N3O.C10H16N2OS.C10H19NO2.C6H10N2O.C6H10N2S/c1-9(2)7-12(18)16-5-6-17-11(8-16)14-15-13(17)10-3-4-10;1-8(2)7-11(17)15-5-6-16-12(9(15)3)13-10(4)14-16;1-9(2)5-12(16)15-4-3-10-6-13-8-14-11(10)7-15;1-9(2)7-12(16)13(3)8-10-5-6-11(15)14(10)4;1-8(2)6-12(15)14-5-4-10-11(7-14)16-9(3)13-10;1-9(2)7-12(14)13-5-3-10-4-6-15-11(10)8-13;1-10(2)9-11(14)13(4)12(3)7-5-6-8-12;1-8(2)5-11(14)13-4-3-10-9(7-13)6-12-15-10;1-9(2)8-11(13)12-6-4-10(3)5-7-12;1-9(2)6-10(15)13(3)4-5-14-8-11-7-12-14;1-8(2)6-10(14)13(3)7-9-4-5-11-12-9;1-8(2)4-10(13)12(3)5-9-6-14-7-11-9;1-8(2)6-9(12)11-5-4-10(3,13)7-11;2*1-5(2)3-6-8-7-4-9-6/h9-10H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;6,8-9H,3-5,7H2,1-2H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;4,6,9H,3,5,7-8H2,1-2H3;10H,5-9H2,1-4H3;6,8H,3-5,7H2,1-2H3;9-10H,4-8H2,1-3H3;7-9H,4-6H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,11,12);6-8H,4-5H2,1-3H3;8,13H,4-7H2,1-3H3;2*4-5H,3H2,1-2H3
InChIKeyAYRPYCPDXIVZPM-UHFFFAOYSA-N
XLogP25.74
TPSA567.67 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds41
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003052.35
LogP ≤ 525.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole 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

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
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
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-imidazo[1,2-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 160137752

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole (CID 157272391) is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole is CC(C)CC(=O)N(C)C1(C)CCCC1.CC(C)CC(=O)N(C)CC1CCC(=O)N1C.CC(C)CC(=O)N(C)CCn1cncn1.CC(C)CC(=O)N(C)Cc1ccn[nH]1.CC(C)CC(=O)N(C)Cc1cscn1.CC(C)CC(=O)N1CCC(C)(O)C1.CC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCc2ccsc2C1.CC(C)CC(=O)N1CCc2cncnc2C1.CC(C)CC(=O)N1CCc2oncc2C1.CC(C)CC(=O)N1CCn2c(nnc2C2CC2)C1.CC(C)Cc1nnco1.CC(C)Cc1nncs1.Cc1nc2c(s1)CN(C(=O)CC(C)C)CC2.Cc1nc2n(n1)CCN(C(=O)CC(C)C)C2C.
What is the InChIKey of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole?
The InChIKey is AYRPYCPDXIVZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.C12H20N4O.C12H17N3O.C12H22N2O2.C12H18N2OS.C12H17NOS.C12H23NO.C11H16N2O2.C11H21NO.C10H18N4O.C10H17N3O.C10H16N2OS.C10H19NO2.C6H10N2O.C6H10N2S/c1-9(2)7-12(18)16-5-6-17-11(8-16)14-15-13(17)10-3-4-10;1-8(2)7-11(17)15-5-6-16-12(9(15)3)13-10(4)14-16;1-9(2)5-12(16)15-4-3-10-6-13-8-14-11(10)7-15;1-9(2)7-12(16)13(3)8-10-5-6-11(15)14(10)4;1-8(2)6-12(15)14-5-4-10-11(7-14)16-9(3)13-10;1-9(2)7-12(14)13-5-3-10-4-6-15-11(10)8-13;1-10(2)9-11(14)13(4)12(3)7-5-6-8-12;1-8(2)5-11(14)13-4-3-10-9(7-13)6-12-15-10;1-9(2)8-11(13)12-6-4-10(3)5-7-12;1-9(2)6-10(15)13(3)4-5-14-8-11-7-12-14;1-8(2)6-10(14)13(3)7-9-4-5-11-12-9;1-8(2)4-10(13)12(3)5-9-6-14-7-11-9;1-8(2)6-9(12)11-5-4-10(3,13)7-11;2*1-5(2)3-6-8-7-4-9-6/h9-10H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;6,8-9H,3-5,7H2,1-2H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;4,6,9H,3,5,7-8H2,1-2H3;10H,5-9H2,1-4H3;6,8H,3-5,7H2,1-2H3;9-10H,4-8H2,1-3H3;7-9H,4-6H2,1-3H3;4-5,8H,6-7H2,1-3H3,(H,11,12);6-8H,4-5H2,1-3H3;8,13H,4-7H2,1-3H3;2*4-5H,3H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole?
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole has a molecular weight of 3052.35 g/mol, XLogP of 25.74, 41 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-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-(2,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-methylbutan-1-one;N,3-dimethyl-N-(1-methylcyclopentyl)butanamide;N,3-dimethyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]butanamide;N,3-dimethyl-N-(1H-pyrazol-5-ylmethyl)butanamide;N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]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-(4-methylpiperidin-1-yl)butan-1-one;2-(2-methylpropyl)-1,3,4-oxadiazole;2-(2-methylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 157272391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).