[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride

C45H54Cl2N12O8 — CID 165059205

About [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride (PubChem CID 165059205) has the molecular formula C45H54Cl2N12O8 and a molecular weight of 961.91 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride.

Molecular Properties

• Compound Name: [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride
• PubChem CID: 165059205
• Molecular Formula: C45H54Cl2N12O8
• Molecular Weight: 961.91 g/mol
• Exact Mass: 960.36
• IUPAC Name: [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride
• SMILES: CCc1cc(C(=O)O)ncc1Oc1ccc(OC)nc1.COc1ccc(Oc2cnc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2OC)cn1.Cl.Cl.Nc1ccc(C2CCNCC2)nn1
• InChI: InChI=1S/C22H24N6O4.C14H14N2O4.C9H14N4.2ClH/c1-30-18-11-17(24-13-19(18)32-15-3-6-21(31-2)25-12-15)22(29)28-9-7-14(8-10-28)16-4-5-20(23)27-26-16;1-3-9-6-11(14(17)18)15-8-12(9)20-10-4-5-13(19-2)16-7-10;10-9-2-1-8(12-13-9)7-3-5-11-6-4-7;;/h3-6,11-14H,7-10H2,1-2H3,(H2,23,27);4-8H,3H2,1-2H3,(H,17,18);1-2,7,11H,3-6H2,(H2,10,13);2*1H
• InChIKey: ZXHUMLNDFNIZIY-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 270.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	961.91
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride?

The IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride (CID 165059205) is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride.

What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride?

The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride is CCc1cc(C(=O)O)ncc1Oc1ccc(OC)nc1.COc1ccc(Oc2cnc(C(=O)N3CCC(c4ccc(N)nn4)CC3)cc2OC)cn1.Cl.Cl.Nc1ccc(C2CCNCC2)nn1.

What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride?

The InChIKey is ZXHUMLNDFNIZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4.C14H14N2O4.C9H14N4.2ClH/c1-30-18-11-17(24-13-19(18)32-15-3-6-21(31-2)25-12-15)22(29)28-9-7-14(8-10-28)16-4-5-20(23)27-26-16;1-3-9-6-11(14(17)18)15-8-12(9)20-10-4-5-13(19-2)16-7-10;10-9-2-1-8(12-13-9)7-3-5-11-6-4-7;;/h3-6,11-14H,7-10H2,1-2H3,(H2,23,27);4-8H,3H2,1-2H3,(H,17,18);1-2,7,11H,3-6H2,(H2,10,13);2*1H.

What are the key properties of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride?

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride has a molecular weight of 961.91 g/mol, XLogP of 6.59, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride is sourced from PubChem (CID 165059205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).