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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate

C237H305F2N53O14 — CID 158088517

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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(=O)c3ccc(C(C)C)cc3)CC2)nn1.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)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C4CC4)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)cc3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cn1.Cc1ncc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1.Cc1ncc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C21H26F2N4O.C21H28N4O.C20H27N5O.C20H24N4O2.3C20H26N4O.C19H23N5O.3C19H25N5O.C19H24N4O2/c1-15-5-10-18(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)16-5-7-17(8-6-16)19(25)20(26)24-12-10-23(11-13-24)18-9-4-15(3)21-22-18;1-15(2)18-7-5-17(6-8-18)14-20(25)24-12-10-23(11-13-24)19-9-4-16(3)21-22-19;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-13-21-16(3)22-14-19;1-15(2)18-6-4-17(5-7-18)14-19(25)23-10-12-24(13-11-23)20-21-9-8-16(3)22-20;1-14-2-9-18(22-21-14)23-10-12-24(13-11-23)19(25)20-17-7-5-16(6-8-17)15-3-4-15;1-14(2)16-5-7-17(8-6-16)20-19(25)24-12-10-23(11-13-24)18-9-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-12-20-15(3)21-13-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-13-20-15(3)12-21-18;1-14(2)16-5-7-17(8-6-16)25-19(24)23-12-10-22(11-13-23)18-9-4-15(3)20-21-18/h5-10H,11-14H2,1-4H3;5-10H,11-15H2,1-4H3;5-10,15H,4,11-14H2,1-3H3,(H,21,26);4-9,14H,10-13H2,1-3H3;4-9,15H,10-14H2,1-3H3;4-7,13-15H,8-12H2,1-3H3;4-9,15H,10-14H2,1-3H3;2,5-9,15H,3-4,10-13H2,1H3,(H,20,25);4-9,14H,10-13H2,1-3H3,(H,20,25);2*4-7,12-14H,8-11H2,1-3H3,(H,22,25);4-9,14H,10-13H2,1-3H3
InChIKeyFNUOWYAWUUNKCH-UHFFFAOYSA-N
MW4158.40 g/mol
LogP37.02
Rot. Bonds41

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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate

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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate (PubChem CID 158088517) has the molecular formula C237H305F2N53O14 and a molecular weight of 4158.40 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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate.

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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate
PubChem CID158088517
Molecular FormulaC237H305F2N53O14
Molecular Weight4158.40 g/mol
Exact Mass4155.48
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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(=O)c3ccc(C(C)C)cc3)CC2)nn1.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)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C4CC4)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)cc3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cn1.Cc1ncc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1.Cc1ncc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cn1
InChIInChI=1S/C21H26F2N4O.C21H28N4O.C20H27N5O.C20H24N4O2.3C20H26N4O.C19H23N5O.3C19H25N5O.C19H24N4O2/c1-15-5-10-18(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)16-5-7-17(8-6-16)19(25)20(26)24-12-10-23(11-13-24)18-9-4-15(3)21-22-18;1-15(2)18-7-5-17(6-8-18)14-20(25)24-12-10-23(11-13-24)19-9-4-16(3)21-22-19;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-13-21-16(3)22-14-19;1-15(2)18-6-4-17(5-7-18)14-19(25)23-10-12-24(13-11-23)20-21-9-8-16(3)22-20;1-14-2-9-18(22-21-14)23-10-12-24(13-11-23)19(25)20-17-7-5-16(6-8-17)15-3-4-15;1-14(2)16-5-7-17(8-6-16)20-19(25)24-12-10-23(11-13-24)18-9-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-12-20-15(3)21-13-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-13-20-15(3)12-21-18;1-14(2)16-5-7-17(8-6-16)25-19(24)23-12-10-22(11-13-23)18-9-4-15(3)20-21-18/h5-10H,11-14H2,1-4H3;5-10H,11-15H2,1-4H3;5-10,15H,4,11-14H2,1-3H3,(H,21,26);4-9,14H,10-13H2,1-3H3;4-9,15H,10-14H2,1-3H3;4-7,13-15H,8-12H2,1-3H3;4-9,15H,10-14H2,1-3H3;2,5-9,15H,3-4,10-13H2,1H3,(H,20,25);4-9,14H,10-13H2,1-3H3,(H,20,25);2*4-7,12-14H,8-11H2,1-3H3,(H,22,25);4-9,14H,10-13H2,1-3H3
InChIKeyFNUOWYAWUUNKCH-UHFFFAOYSA-N
XLogP37.02
TPSA678.41 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds41
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004158.40
LogP ≤ 537.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate 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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate?
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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate (CID 158088517) 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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate.
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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate?
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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate is CCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(=O)c3ccc(C(C)C)cc3)CC2)nn1.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)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C4CC4)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)cc3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)cn1.Cc1ncc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1.Cc1ncc(N2CCN(C(=O)Nc3ccc(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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate?
The InChIKey is FNUOWYAWUUNKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O.C21H28N4O.C20H27N5O.C20H24N4O2.3C20H26N4O.C19H23N5O.3C19H25N5O.C19H24N4O2/c1-15-5-10-18(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)16-5-7-17(8-6-16)19(25)20(26)24-12-10-23(11-13-24)18-9-4-15(3)21-22-18;1-15(2)18-7-5-17(6-8-18)14-20(25)24-12-10-23(11-13-24)19-9-4-16(3)21-22-19;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-13-21-16(3)22-14-19;1-15(2)18-6-4-17(5-7-18)14-19(25)23-10-12-24(13-11-23)20-21-9-8-16(3)22-20;1-14-2-9-18(22-21-14)23-10-12-24(13-11-23)19(25)20-17-7-5-16(6-8-17)15-3-4-15;1-14(2)16-5-7-17(8-6-16)20-19(25)24-12-10-23(11-13-24)18-9-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-12-20-15(3)21-13-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-13-20-15(3)12-21-18;1-14(2)16-5-7-17(8-6-16)25-19(24)23-12-10-22(11-13-23)18-9-4-15(3)20-21-18/h5-10H,11-14H2,1-4H3;5-10H,11-15H2,1-4H3;5-10,15H,4,11-14H2,1-3H3,(H,21,26);4-9,14H,10-13H2,1-3H3;4-9,15H,10-14H2,1-3H3;4-7,13-15H,8-12H2,1-3H3;4-9,15H,10-14H2,1-3H3;2,5-9,15H,3-4,10-13H2,1H3,(H,20,25);4-9,14H,10-13H2,1-3H3,(H,20,25);2*4-7,12-14H,8-11H2,1-3H3,(H,22,25);4-9,14H,10-13H2,1-3H3.
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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate?
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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate has a molecular weight of 4158.40 g/mol, XLogP of 37.02, 41 rotatable bonds, 5 hydrogen bond donors, and 50 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;N-(4-cyclopropylphenyl)-4-(6-methylpyridazin-3-yl)piperazine-1-carboxamide;4-(5-methylpyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethane-1,2-dione;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(2-methylpyrimidin-5-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(2-methylpyrimidin-5-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 158088517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).