6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide

C54H60N10O6 — CID 135171066

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide (PubChem CID 135171066) has the molecular formula C54H60N10O6 and a molecular weight of 945.14 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide
• PubChem CID: 135171066
• Molecular Formula: C54H60N10O6
• Molecular Weight: 945.14 g/mol
• Exact Mass: 944.47
• IUPAC Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide
• SMILES: COc1ccc(OC2CCN(c3nnc(C(=O)N[C@H]4CCc5cc(Cc6cc(C(=O)NC7CCc8ccccc8C7)nnc6N6CCC(Oc7ccc(OC)nc7)CC6)ccc5C4)cc3C)CC2)cn1
• InChI: InChI=1S/C54H60N10O6/c1-34-26-47(59-61-51(34)63-22-18-43(19-23-63)69-45-14-16-49(67-2)55-32-45)53(65)57-42-13-11-38-27-35(8-9-39(38)30-42)28-40-31-48(54(66)58-41-12-10-36-6-4-5-7-37(36)29-41)60-62-52(40)64-24-20-44(21-25-64)70-46-15-17-50(68-3)56-33-46/h4-9,14-17,26-27,31-33,41-44H,10-13,18-25,28-30H2,1-3H3,(H,57,65)(H,58,66)/t41?,42-/m0/s1
• InChIKey: BVILQDAYPOHGMN-QWRJABQPSA-N
• XLogP: 6.64
• TPSA: 178.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.14
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide?

The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide (CID 135171066) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide is COc1ccc(OC2CCN(c3nnc(C(=O)N[C@H]4CCc5cc(Cc6cc(C(=O)NC7CCc8ccccc8C7)nnc6N6CCC(Oc7ccc(OC)nc7)CC6)ccc5C4)cc3C)CC2)cn1.

What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide?

The InChIKey is BVILQDAYPOHGMN-QWRJABQPSA-N. The full InChI is InChI=1S/C54H60N10O6/c1-34-26-47(59-61-51(34)63-22-18-43(19-23-63)69-45-14-16-49(67-2)55-32-45)53(65)57-42-13-11-38-27-35(8-9-39(38)30-42)28-40-31-48(54(66)58-41-12-10-36-6-4-5-7-37(36)29-41)60-62-52(40)64-24-20-44(21-25-64)70-46-15-17-50(68-3)56-33-46/h4-9,14-17,26-27,31-33,41-44H,10-13,18-25,28-30H2,1-3H3,(H,57,65)(H,58,66)/t41?,42-/m0/s1.

What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide?

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide has a molecular weight of 945.14 g/mol, XLogP of 6.64, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N-[(2S)-6-[[3-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide is sourced from PubChem (CID 135171066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).