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

C33H32F4N10O2 — CID 129136106

IUPAC2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cccc(N2CC(F)(F)C2)n1)Nc1ccc([C@H]2CC[C@H](c3ccc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)nn3)C2)nn1
InChIInChI=1S/C33H32F4N10O2/c34-32(35)16-46(17-32)28-5-1-3-22(38-28)14-30(48)40-26-11-9-24(42-44-26)20-7-8-21(13-20)25-10-12-27(45-43-25)41-31(49)15-23-4-2-6-29(39-23)47-18-33(36,37)19-47/h1-6,9-12,20-21H,7-8,13-19H2,(H,40,44,48)(H,41,45,49)/t20-,21-/m0/s1
InChIKeyJBPLVOXWUITYLB-SFTDATJTSA-N
MW676.68 g/mol
LogP4.38
Rot. Bonds10

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

2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide (PubChem CID 129136106) has the molecular formula C33H32F4N10O2 and a molecular weight of 676.68 g/mol. Its IUPAC name is 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide
PubChem CID129136106
Molecular FormulaC33H32F4N10O2
Molecular Weight676.68 g/mol
Exact Mass676.26
IUPAC Name2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cccc(N2CC(F)(F)C2)n1)Nc1ccc([C@H]2CC[C@H](c3ccc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)nn3)C2)nn1
InChIInChI=1S/C33H32F4N10O2/c34-32(35)16-46(17-32)28-5-1-3-22(38-28)14-30(48)40-26-11-9-24(42-44-26)20-7-8-21(13-20)25-10-12-27(45-43-25)41-31(49)15-23-4-2-6-29(39-23)47-18-33(36,37)19-47/h1-6,9-12,20-21H,7-8,13-19H2,(H,40,44,48)(H,41,45,49)/t20-,21-/m0/s1
InChIKeyJBPLVOXWUITYLB-SFTDATJTSA-N
XLogP4.38
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.68
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide (CID 129136106) is 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide is O=C(Cc1cccc(N2CC(F)(F)C2)n1)Nc1ccc([C@H]2CC[C@H](c3ccc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)nn3)C2)nn1.
What is the InChIKey of 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide?
The InChIKey is JBPLVOXWUITYLB-SFTDATJTSA-N. The full InChI is InChI=1S/C33H32F4N10O2/c34-32(35)16-46(17-32)28-5-1-3-22(38-28)14-30(48)40-26-11-9-24(42-44-26)20-7-8-21(13-20)25-10-12-27(45-43-25)41-31(49)15-23-4-2-6-29(39-23)47-18-33(36,37)19-47/h1-6,9-12,20-21H,7-8,13-19H2,(H,40,44,48)(H,41,45,49)/t20-,21-/m0/s1.
What are the key properties of 2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide?
2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide has a molecular weight of 676.68 g/mol, XLogP of 4.38, 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)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclopentyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129136106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).