1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

C144H186F3N39O3 — CID 159763766

About 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 159763766) has the molecular formula C144H186F3N39O3 and a molecular weight of 2568.34 g/mol. Its IUPAC name is 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
• PubChem CID: 159763766
• Molecular Formula: C144H186F3N39O3
• Molecular Weight: 2568.34 g/mol
• Exact Mass: 2566.56
• IUPAC Name: 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
• SMILES: Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)Cc3cccc(OC(F)(F)F)c3)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)Cc3ccccc3C(C)C)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)Cc3ccccc3[N+](=O)[O-])CC2)c1C.Cc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1.Cc1cccnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1.[C-]#[N+]c1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1
• InChI: InChI=1S/C26H36N6.C24H29F3N6O.C24H29N7.C24H32N6.C23H29N7O2.C23H31N7/c1-18(2)23-10-8-7-9-21(23)17-30(5)22-12-15-32(16-13-22)26-20(4)19(3)25(28-29-26)24-11-14-27-31(24)6;1-16-17(2)23(30-29-22(16)21-8-11-28-32(21)4)33-12-9-19(10-13-33)31(3)15-18-6-5-7-20(14-18)34-24(25,26)27;1-17-18(2)24(28-27-23(17)22-10-13-26-30(22)5)31-14-11-20(12-15-31)29(4)16-19-8-6-7-9-21(19)25-3;1-17-8-6-7-9-20(17)16-28(4)21-11-14-30(15-12-21)24-19(3)18(2)23(26-27-24)22-10-13-25-29(22)5;1-16-17(2)23(26-25-22(16)21-9-12-24-28(21)4)29-13-10-19(11-14-29)27(3)15-18-7-5-6-8-20(18)30(31)32;1-16-7-6-11-24-20(16)15-28(4)19-9-13-30(14-10-19)23-18(3)17(2)22(26-27-23)21-8-12-25-29(21)5/h7-11,14,18,22H,12-13,15-17H2,1-6H3;5-8,11,14,19H,9-10,12-13,15H2,1-4H3;6-10,13,20H,11-12,14-16H2,1-2,4-5H3;6-10,13,21H,11-12,14-16H2,1-5H3;5-9,12,19H,10-11,13-15H2,1-4H3;6-8,11-12,19H,9-10,13-15H2,1-5H3
• InChIKey: NFFSVERYLUGFRA-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 370.10 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2568.34
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

The IUPAC name of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (CID 159763766) is 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.

What is the SMILES notation for 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

The canonical SMILES for 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)Cc3cccc(OC(F)(F)F)c3)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)Cc3ccccc3C(C)C)CC2)c1C.Cc1c(-c2ccnn2C)nnc(N2CCC(N(C)Cc3ccccc3[N+](=O)[O-])CC2)c1C.Cc1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1.Cc1cccnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1.[C-]#[N+]c1ccccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1.

What is the InChIKey of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

The InChIKey is NFFSVERYLUGFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6.C24H29F3N6O.C24H29N7.C24H32N6.C23H29N7O2.C23H31N7/c1-18(2)23-10-8-7-9-21(23)17-30(5)22-12-15-32(16-13-22)26-20(4)19(3)25(28-29-26)24-11-14-27-31(24)6;1-16-17(2)23(30-29-22(16)21-8-11-28-32(21)4)33-12-9-19(10-13-33)31(3)15-18-6-5-7-20(14-18)34-24(25,26)27;1-17-18(2)24(28-27-23(17)22-10-13-26-30(22)5)31-14-11-20(12-15-31)29(4)16-19-8-6-7-9-21(19)25-3;1-17-8-6-7-9-20(17)16-28(4)21-11-14-30(15-12-21)24-19(3)18(2)23(26-27-24)22-10-13-25-29(22)5;1-16-17(2)23(26-25-22(16)21-9-12-24-28(21)4)29-13-10-19(11-14-29)27(3)15-18-7-5-6-8-20(18)30(31)32;1-16-7-6-11-24-20(16)15-28(4)19-9-13-30(14-10-19)23-18(3)17(2)22(26-27-23)21-8-12-25-29(21)5/h7-11,14,18,22H,12-13,15-17H2,1-6H3;5-8,11,14,19H,9-10,12-13,15H2,1-4H3;6-10,13,20H,11-12,14-16H2,1-2,4-5H3;6-10,13,21H,11-12,14-16H2,1-5H3;5-9,12,19H,10-11,13-15H2,1-4H3;6-8,11-12,19H,9-10,13-15H2,1-5H3.

What are the key properties of 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 2568.34 g/mol, XLogP of 24.06, 33 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(2-isocyanophenyl)methyl]-N-methylpiperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 159763766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).