6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide

C52H60N12O6 — CID 159223114

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide (PubChem CID 159223114) has the molecular formula C52H60N12O6 and a molecular weight of 949.13 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide
• PubChem CID: 159223114
• Molecular Formula: C52H60N12O6
• Molecular Weight: 949.13 g/mol
• Exact Mass: 948.48
• IUPAC Name: 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide
• SMILES: COc1ccc(OC2CCN(c3nnc(C(=O)N[C@@H]4CCc5ccncc5C4)cc3C)CC2)cn1.COc1ccc(OC2CCN(c3nnc(C(=O)N[C@H]4CCc5ccncc5C4)cc3C)CC2)cn1
• InChI: InChI=1S/2C26H30N6O3/c2*1-17-13-23(26(33)29-20-4-3-18-7-10-27-15-19(18)14-20)30-31-25(17)32-11-8-21(9-12-32)35-22-5-6-24(34-2)28-16-22/h2*5-7,10,13,15-16,20-21H,3-4,8-9,11-12,14H2,1-2H3,(H,29,33)/t2*20-/m10/s1
• InChIKey: KRYHWGAZRGOPOV-ZCLATKBISA-N
• XLogP: 5.84
• TPSA: 204.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.13
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide (CID 159223114) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide is COc1ccc(OC2CCN(c3nnc(C(=O)N[C@@H]4CCc5ccncc5C4)cc3C)CC2)cn1.COc1ccc(OC2CCN(c3nnc(C(=O)N[C@H]4CCc5ccncc5C4)cc3C)CC2)cn1.

What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide?

The InChIKey is KRYHWGAZRGOPOV-ZCLATKBISA-N. The full InChI is InChI=1S/2C26H30N6O3/c2*1-17-13-23(26(33)29-20-4-3-18-7-10-27-15-19(18)14-20)30-31-25(17)32-11-8-21(9-12-32)35-22-5-6-24(34-2)28-16-22/h2*5-7,10,13,15-16,20-21H,3-4,8-9,11-12,14H2,1-2H3,(H,29,33)/t2*20-/m10/s1.

What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide?

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide has a molecular weight of 949.13 g/mol, XLogP of 5.84, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide;6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-[(7R)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 159223114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).