2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C34H34F4N10O2 — CID 129136028

About 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129136028) has the molecular formula C34H34F4N10O2 and a molecular weight of 690.71 g/mol. Its IUPAC name is 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 129136028
• Molecular Formula: C34H34F4N10O2
• Molecular Weight: 690.71 g/mol
• Exact Mass: 690.28
• IUPAC Name: 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: O=C(Cc1ccc(N2CC(F)(F)C2)nc1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ccc(N5CC(F)(F)C5)nc4)nn3)C2)nn1
• InChI: InChI=1S/C34H34F4N10O2/c35-33(36)17-47(18-33)29-10-4-21(15-39-29)12-31(49)41-27-8-6-25(43-45-27)23-2-1-3-24(14-23)26-7-9-28(46-44-26)42-32(50)13-22-5-11-30(40-16-22)48-19-34(37,38)20-48/h4-11,15-16,23-24H,1-3,12-14,17-20H2,(H,41,45,49)(H,42,46,50)/t23-,24-/m0/s1
• InChIKey: DDJVDGBPOIFYIP-ZEQRLZLVSA-N
• XLogP: 4.77
• TPSA: 142.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.71
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129136028) is 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1ccc(N2CC(F)(F)C2)nc1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ccc(N5CC(F)(F)C5)nc4)nn3)C2)nn1.

What is the InChIKey of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is DDJVDGBPOIFYIP-ZEQRLZLVSA-N. The full InChI is InChI=1S/C34H34F4N10O2/c35-33(36)17-47(18-33)29-10-4-21(15-39-29)12-31(49)41-27-8-6-25(43-45-27)23-2-1-3-24(14-23)26-7-9-28(46-44-26)42-32(50)13-22-5-11-30(40-16-22)48-19-34(37,38)20-48/h4-11,15-16,23-24H,1-3,12-14,17-20H2,(H,41,45,49)(H,42,46,50)/t23-,24-/m0/s1.

What are the key properties of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 690.71 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129136028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).