1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C172H304F6N36O4S — CID 159768021

IUPAC1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESC=C1C(C)N(C(C)C)CCN1C(C)C.C=C1C(C)N(C(C)C)CCN1CC(F)F.C=C1C(C)N(C(C)C)CCN1CCOC.C=C1C2CCC(CN1C(C)C)N2C(C)C.C=C1C2CCC(CN1C)N2C(C)C.C=C1C2CCC(CN1CC)N2C(C)C.C=C1C2CCC(CN1CCF)N2C(C)C.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCN(C2CC2)C(=O)C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1C.CC(C)N1CCn2cnc(C(F)(F)F)c2C1.CCC1C(=O)N(C)CCN1C(C)C
InChIInChI=1S/C13H24N2.C12H21FN2.C12H24N2O.C12H22N2.C12H24N2.C11H20F2N2.C11H17N3.C11H20N2.C11H16N2.C10H14F3N3.C10H17N3.C10H18N2O.C10H20N2O.C9H15N3.C9H18N2O.C9H14N2S/c1-9(2)14-8-12-6-7-13(11(14)5)15(12)10(3)4;1-9(2)15-11-4-5-12(15)10(3)14(8-11)7-6-13;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-5-13-8-11-6-7-12(10(13)4)14(11)9(2)3;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-10-5-6-11(13)9(3)12(4)7-10;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)15-3-4-16-6-14-9(8(16)5-15)10(11,12)13;1-8(2)13-7-6-12-5-4-11-10(12)9(13)3;1-8(2)11-5-6-12(9-3-4-9)10(13)7-11;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)11-6-5-10(4)9(12)8(11)3;1-7(2)11-4-3-8-9(5-11)12-6-10-8/h9-10,12-13H,5-8H2,1-4H3;9,11-12H,3-8H2,1-2H3;10,12H,3,6-9H2,1-2,4-5H3;9,11-12H,4-8H2,1-3H3;9-10,12H,5,7-8H2,1-4,6H3;8,10-11H,3,5-7H2,1-2,4H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8,10-11H,3,5-7H2,1-2,4H3;3-4,6,9H,5,7-8H2,1-2H3;6-7H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;5,7H,3-4,6H2,1-2H3,(H,10,11);7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyNFTDJBRZQXVQLZ-UHFFFAOYSA-N
MW3086.63 g/mol
LogP27.13
Rot. Bonds28

About 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 159768021) has the molecular formula C172H304F6N36O4S and a molecular weight of 3086.63 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID159768021
Molecular FormulaC172H304F6N36O4S
Molecular Weight3086.63 g/mol
Exact Mass3084.43
IUPAC Name1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESC=C1C(C)N(C(C)C)CCN1C(C)C.C=C1C(C)N(C(C)C)CCN1CC(F)F.C=C1C(C)N(C(C)C)CCN1CCOC.C=C1C2CCC(CN1C(C)C)N2C(C)C.C=C1C2CCC(CN1C)N2C(C)C.C=C1C2CCC(CN1CC)N2C(C)C.C=C1C2CCC(CN1CCF)N2C(C)C.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCN(C2CC2)C(=O)C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1C.CC(C)N1CCn2cnc(C(F)(F)F)c2C1.CCC1C(=O)N(C)CCN1C(C)C
InChIInChI=1S/C13H24N2.C12H21FN2.C12H24N2O.C12H22N2.C12H24N2.C11H20F2N2.C11H17N3.C11H20N2.C11H16N2.C10H14F3N3.C10H17N3.C10H18N2O.C10H20N2O.C9H15N3.C9H18N2O.C9H14N2S/c1-9(2)14-8-12-6-7-13(11(14)5)15(12)10(3)4;1-9(2)15-11-4-5-12(15)10(3)14(8-11)7-6-13;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-5-13-8-11-6-7-12(10(13)4)14(11)9(2)3;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-10-5-6-11(13)9(3)12(4)7-10;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)15-3-4-16-6-14-9(8(16)5-15)10(11,12)13;1-8(2)13-7-6-12-5-4-11-10(12)9(13)3;1-8(2)11-5-6-12(9-3-4-9)10(13)7-11;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)11-6-5-10(4)9(12)8(11)3;1-7(2)11-4-3-8-9(5-11)12-6-10-8/h9-10,12-13H,5-8H2,1-4H3;9,11-12H,3-8H2,1-2H3;10,12H,3,6-9H2,1-2,4-5H3;9,11-12H,4-8H2,1-3H3;9-10,12H,5,7-8H2,1-4,6H3;8,10-11H,3,5-7H2,1-2,4H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8,10-11H,3,5-7H2,1-2,4H3;3-4,6,9H,5,7-8H2,1-2H3;6-7H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;5,7H,3-4,6H2,1-2H3,(H,10,11);7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyNFTDJBRZQXVQLZ-UHFFFAOYSA-N
XLogP27.13
TPSA263.46 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003086.63
LogP ≤ 527.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 159768021) is 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is C=C1C(C)N(C(C)C)CCN1C(C)C.C=C1C(C)N(C(C)C)CCN1CC(F)F.C=C1C(C)N(C(C)C)CCN1CCOC.C=C1C2CCC(CN1C(C)C)N2C(C)C.C=C1C2CCC(CN1C)N2C(C)C.C=C1C2CCC(CN1CC)N2C(C)C.C=C1C2CCC(CN1CCF)N2C(C)C.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCN(C2CC2)C(=O)C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1C.CC(C)N1CCn2cnc(C(F)(F)F)c2C1.CCC1C(=O)N(C)CCN1C(C)C.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is NFTDJBRZQXVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.C12H21FN2.C12H24N2O.C12H22N2.C12H24N2.C11H20F2N2.C11H17N3.C11H20N2.C11H16N2.C10H14F3N3.C10H17N3.C10H18N2O.C10H20N2O.C9H15N3.C9H18N2O.C9H14N2S/c1-9(2)14-8-12-6-7-13(11(14)5)15(12)10(3)4;1-9(2)15-11-4-5-12(15)10(3)14(8-11)7-6-13;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-5-13-8-11-6-7-12(10(13)4)14(11)9(2)3;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-10-5-6-11(13)9(3)12(4)7-10;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)15-3-4-16-6-14-9(8(16)5-15)10(11,12)13;1-8(2)13-7-6-12-5-4-11-10(12)9(13)3;1-8(2)11-5-6-12(9-3-4-9)10(13)7-11;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)11-6-5-10(4)9(12)8(11)3;1-7(2)11-4-3-8-9(5-11)12-6-10-8/h9-10,12-13H,5-8H2,1-4H3;9,11-12H,3-8H2,1-2H3;10,12H,3,6-9H2,1-2,4-5H3;9,11-12H,4-8H2,1-3H3;9-10,12H,5,7-8H2,1-4,6H3;8,10-11H,3,5-7H2,1-2,4H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8,10-11H,3,5-7H2,1-2,4H3;3-4,6,9H,5,7-8H2,1-2H3;6-7H,3-5H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;5,7H,3-4,6H2,1-2H3,(H,10,11);7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 3086.63 g/mol, XLogP of 27.13, 28 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 159768021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).