N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

C203H268F2N46O11 — CID 160800845

IUPACN-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
SMILESC.CC(C)c1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1.CCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)c(C)c3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C24H33N5O.C21H26F2N4O.C21H28N4O.C20H27N5O.C20H26N4O2.C20H24N4O.C20H26N4O.2C19H25N5O.C18H24N6O.CH4/c1-19(2)21-8-6-20(7-9-21)18-24(30)29-16-14-28(15-17-29)23-11-10-22(25-26-23)27-12-4-3-5-13-27;1-15-5-10-18(25-24-15)26-11-13-27(14-12-26)19(28)21(22,23)17-8-6-16(7-9-17)20(2,3)4;1-16-5-10-19(23-22-16)24-11-13-25(14-12-24)20(26)15-17-6-8-18(9-7-17)21(2,3)4;1-4-15(2)17-6-8-18(9-7-17)21-20(26)25-13-11-24(12-14-25)19-10-5-16(3)22-23-19;1-14(2)18-7-6-17(13-15(18)3)26-20(25)24-11-9-23(10-12-24)19-8-5-16(4)21-22-19;1-15-2-9-19(22-21-15)23-10-12-24(13-11-23)20(25)14-16-3-5-17(6-4-16)18-7-8-18;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-14-21-16(3)13-22-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-12-10-23(11-13-24)18-20-9-8-15(3)21-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;/h6-11,19H,3-5,12-18H2,1-2H3;5-10H,11-14H2,1-4H3;5-10H,11-15H2,1-4H3;5-10,15H,4,11-14H2,1-3H3,(H,21,26);5-8,13-14H,9-12H2,1-4H3;2-6,9,18H,7-8,10-14H2,1H3;4-7,13-15H,8-12H2,1-3H3;4-7,13-14H,8-12H2,1-3H3;4-9,14H,10-13H2,1-3H3,(H,22,25);4-7,12-13H,8-11H2,1-3H3,(H,20,25);1H4
InChIKeySDAWVOUVBGIHIU-UHFFFAOYSA-N
MW3566.68 g/mol
LogP31.27
Rot. Bonds36

About N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 160800845) has the molecular formula C203H268F2N46O11 and a molecular weight of 3566.68 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
PubChem CID160800845
Molecular FormulaC203H268F2N46O11
Molecular Weight3566.68 g/mol
Exact Mass3564.18
IUPAC NameN-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
SMILESC.CC(C)c1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1.CCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)c(C)c3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C24H33N5O.C21H26F2N4O.C21H28N4O.C20H27N5O.C20H26N4O2.C20H24N4O.C20H26N4O.2C19H25N5O.C18H24N6O.CH4/c1-19(2)21-8-6-20(7-9-21)18-24(30)29-16-14-28(15-17-29)23-11-10-22(25-26-23)27-12-4-3-5-13-27;1-15-5-10-18(25-24-15)26-11-13-27(14-12-26)19(28)21(22,23)17-8-6-16(7-9-17)20(2,3)4;1-16-5-10-19(23-22-16)24-11-13-25(14-12-24)20(26)15-17-6-8-18(9-7-17)21(2,3)4;1-4-15(2)17-6-8-18(9-7-17)21-20(26)25-13-11-24(12-14-25)19-10-5-16(3)22-23-19;1-14(2)18-7-6-17(13-15(18)3)26-20(25)24-11-9-23(10-12-24)19-8-5-16(4)21-22-19;1-15-2-9-19(22-21-15)23-10-12-24(13-11-23)20(25)14-16-3-5-17(6-4-16)18-7-8-18;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-14-21-16(3)13-22-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-12-10-23(11-13-24)18-20-9-8-15(3)21-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;/h6-11,19H,3-5,12-18H2,1-2H3;5-10H,11-14H2,1-4H3;5-10H,11-15H2,1-4H3;5-10,15H,4,11-14H2,1-3H3,(H,21,26);5-8,13-14H,9-12H2,1-4H3;2-6,9,18H,7-8,10-14H2,1H3;4-7,13-15H,8-12H2,1-3H3;4-7,13-14H,8-12H2,1-3H3;4-9,14H,10-13H2,1-3H3,(H,22,25);4-7,12-13H,8-11H2,1-3H3,(H,20,25);1H4
InChIKeySDAWVOUVBGIHIU-UHFFFAOYSA-N
XLogP31.27
TPSA567.64 Ų
H-Bond Donors3
H-Bond Acceptors44
Rotatable Bonds36
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003566.68
LogP ≤ 531.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1044

Analyze N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (CID 160800845) is N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is C.CC(C)c1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1.CCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)c(C)c3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is SDAWVOUVBGIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O.C21H26F2N4O.C21H28N4O.C20H27N5O.C20H26N4O2.C20H24N4O.C20H26N4O.2C19H25N5O.C18H24N6O.CH4/c1-19(2)21-8-6-20(7-9-21)18-24(30)29-16-14-28(15-17-29)23-11-10-22(25-26-23)27-12-4-3-5-13-27;1-15-5-10-18(25-24-15)26-11-13-27(14-12-26)19(28)21(22,23)17-8-6-16(7-9-17)20(2,3)4;1-16-5-10-19(23-22-16)24-11-13-25(14-12-24)20(26)15-17-6-8-18(9-7-17)21(2,3)4;1-4-15(2)17-6-8-18(9-7-17)21-20(26)25-13-11-24(12-14-25)19-10-5-16(3)22-23-19;1-14(2)18-7-6-17(13-15(18)3)26-20(25)24-11-9-23(10-12-24)19-8-5-16(4)21-22-19;1-15-2-9-19(22-21-15)23-10-12-24(13-11-23)20(25)14-16-3-5-17(6-4-16)18-7-8-18;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-14-21-16(3)13-22-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-12-10-23(11-13-24)18-20-9-8-15(3)21-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;/h6-11,19H,3-5,12-18H2,1-2H3;5-10H,11-14H2,1-4H3;5-10H,11-15H2,1-4H3;5-10,15H,4,11-14H2,1-3H3,(H,21,26);5-8,13-14H,9-12H2,1-4H3;2-6,9,18H,7-8,10-14H2,1H3;4-7,13-15H,8-12H2,1-3H3;4-7,13-14H,8-12H2,1-3H3;4-9,14H,10-13H2,1-3H3,(H,22,25);4-7,12-13H,8-11H2,1-3H3,(H,20,25);1H4.
What are the key properties of N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 3566.68 g/mol, XLogP of 31.27, 36 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 160800845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).