2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate

C99H130N22O7 — CID 157095821

IUPAC2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate
SMILESCOc1nc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)ncc1C.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)Oc3ccc(C(C)C)cc3)CC2)nn1.Cc1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1
InChIInChI=1S/C21H28N4O.C20H27N5O2.C20H26N4O.C19H25N5O.C19H24N4O2/c1-16-5-10-19(23-22-16)24-11-13-25(14-12-24)20(26)15-17-6-8-18(9-7-17)21(2,3)4;1-14(2)16-5-7-17(8-6-16)22-20(26)25-11-9-24(10-12-25)19-21-13-15(3)18(23-19)27-4;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;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-20-12-15(3)13-21-18;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,11-15H2,1-4H3;5-8,13-14H,9-12H2,1-4H3,(H,22,26);4-9,15H,10-14H2,1-3H3;4-7,12-14H,8-11H2,1-3H3,(H,22,25);4-9,14H,10-13H2,1-3H3
InChIKeyAFEUJZLGCIUSOR-UHFFFAOYSA-N
MW1740.28 g/mol
LogP15.54
Rot. Bonds17

About 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate

2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate (PubChem CID 157095821) has the molecular formula C99H130N22O7 and a molecular weight of 1740.28 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate
PubChem CID157095821
Molecular FormulaC99H130N22O7
Molecular Weight1740.28 g/mol
Exact Mass1739.05
IUPAC Name2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate
SMILESCOc1nc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)ncc1C.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)Oc3ccc(C(C)C)cc3)CC2)nn1.Cc1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1
InChIInChI=1S/C21H28N4O.C20H27N5O2.C20H26N4O.C19H25N5O.C19H24N4O2/c1-16-5-10-19(23-22-16)24-11-13-25(14-12-24)20(26)15-17-6-8-18(9-7-17)21(2,3)4;1-14(2)16-5-7-17(8-6-16)22-20(26)25-11-9-24(10-12-25)19-21-13-15(3)18(23-19)27-4;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;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-20-12-15(3)13-21-18;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,11-15H2,1-4H3;5-8,13-14H,9-12H2,1-4H3,(H,22,26);4-9,15H,10-14H2,1-3H3;4-7,12-14H,8-11H2,1-3H3,(H,22,25);4-9,14H,10-13H2,1-3H3
InChIKeyAFEUJZLGCIUSOR-UHFFFAOYSA-N
XLogP15.54
TPSA289.17 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001740.28
LogP ≤ 515.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-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 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-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 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate (CID 157095821) is 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-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 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-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 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate is COc1nc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)ncc1C.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)Oc3ccc(C(C)C)cc3)CC2)nn1.Cc1cnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)nc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate?
The InChIKey is AFEUJZLGCIUSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.C20H27N5O2.C20H26N4O.C19H25N5O.C19H24N4O2/c1-16-5-10-19(23-22-16)24-11-13-25(14-12-24)20(26)15-17-6-8-18(9-7-17)21(2,3)4;1-14(2)16-5-7-17(8-6-16)22-20(26)25-11-9-24(10-12-25)19-21-13-15(3)18(23-19)27-4;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;1-14(2)16-4-6-17(7-5-16)22-19(25)24-10-8-23(9-11-24)18-20-12-15(3)13-21-18;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,11-15H2,1-4H3;5-8,13-14H,9-12H2,1-4H3,(H,22,26);4-9,15H,10-14H2,1-3H3;4-7,12-14H,8-11H2,1-3H3,(H,22,25);4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate?
2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-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 1740.28 g/mol, XLogP of 15.54, 17 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;4-(4-methoxy-5-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methylpyrimidin-2-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 157095821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).