2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C34H34F4N10O2 — CID 129135426

IUPAC2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccc(N2CC(F)(F)C2)cn1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ccc(N5CC(F)(F)C5)cn4)nn3)C2)nn1
InChIInChI=1S/C34H34F4N10O2/c35-33(36)17-47(18-33)25-6-4-23(39-15-25)13-31(49)41-29-10-8-27(43-45-29)21-2-1-3-22(12-21)28-9-11-30(46-44-28)42-32(50)14-24-5-7-26(16-40-24)48-19-34(37,38)20-48/h4-11,15-16,21-22H,1-3,12-14,17-20H2,(H,41,45,49)(H,42,46,50)/t21-,22-/m0/s1
InChIKeyTYNUFQFABXABCU-VXKWHMMOSA-N
MW690.71 g/mol
LogP4.77
Rot. Bonds10

About 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129135426) has the molecular formula C34H34F4N10O2 and a molecular weight of 690.71 g/mol. Its IUPAC name is 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
PubChem CID129135426
Molecular FormulaC34H34F4N10O2
Molecular Weight690.71 g/mol
Exact Mass690.28
IUPAC Name2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccc(N2CC(F)(F)C2)cn1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ccc(N5CC(F)(F)C5)cn4)nn3)C2)nn1
InChIInChI=1S/C34H34F4N10O2/c35-33(36)17-47(18-33)25-6-4-23(39-15-25)13-31(49)41-29-10-8-27(43-45-29)21-2-1-3-22(12-21)28-9-11-30(46-44-28)42-32(50)14-24-5-7-26(16-40-24)48-19-34(37,38)20-48/h4-11,15-16,21-22H,1-3,12-14,17-20H2,(H,41,45,49)(H,42,46,50)/t21-,22-/m0/s1
InChIKeyTYNUFQFABXABCU-VXKWHMMOSA-N
XLogP4.77
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.71
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129135426) is 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1ccc(N2CC(F)(F)C2)cn1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4ccc(N5CC(F)(F)C5)cn4)nn3)C2)nn1.
What is the InChIKey of 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The InChIKey is TYNUFQFABXABCU-VXKWHMMOSA-N. The full InChI is InChI=1S/C34H34F4N10O2/c35-33(36)17-47(18-33)25-6-4-23(39-15-25)13-31(49)41-29-10-8-27(43-45-29)21-2-1-3-22(12-21)28-9-11-30(46-44-28)42-32(50)14-24-5-7-26(16-40-24)48-19-34(37,38)20-48/h4-11,15-16,21-22H,1-3,12-14,17-20H2,(H,41,45,49)(H,42,46,50)/t21-,22-/m0/s1.
What are the key properties of 2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129135426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).