2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C34H36F2N10O2 — CID 129135429

IUPAC2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cc(N2CC(F)C2)ccn1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cc(N5CC(F)C5)ccn4)nn3)C2)nn1
InChIInChI=1S/C34H36F2N10O2/c35-23-17-45(18-23)27-8-10-37-25(13-27)15-33(47)39-31-6-4-29(41-43-31)21-2-1-3-22(12-21)30-5-7-32(44-42-30)40-34(48)16-26-14-28(9-11-38-26)46-19-24(36)20-46/h4-11,13-14,21-24H,1-3,12,15-20H2,(H,39,43,47)(H,40,44,48)/t21-,22-/m0/s1
InChIKeyUEGQHTQNWYVIOS-VXKWHMMOSA-N
MW654.73 g/mol
LogP4.18
Rot. Bonds10

About 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129135429) has the molecular formula C34H36F2N10O2 and a molecular weight of 654.73 g/mol. Its IUPAC name is 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
PubChem CID129135429
Molecular FormulaC34H36F2N10O2
Molecular Weight654.73 g/mol
Exact Mass654.30
IUPAC Name2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cc(N2CC(F)C2)ccn1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cc(N5CC(F)C5)ccn4)nn3)C2)nn1
InChIInChI=1S/C34H36F2N10O2/c35-23-17-45(18-23)27-8-10-37-25(13-27)15-33(47)39-31-6-4-29(41-43-31)21-2-1-3-22(12-21)30-5-7-32(44-42-30)40-34(48)16-26-14-28(9-11-38-26)46-19-24(36)20-46/h4-11,13-14,21-24H,1-3,12,15-20H2,(H,39,43,47)(H,40,44,48)/t21-,22-/m0/s1
InChIKeyUEGQHTQNWYVIOS-VXKWHMMOSA-N
XLogP4.18
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.73
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-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-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129135429) is 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1cc(N2CC(F)C2)ccn1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4cc(N5CC(F)C5)ccn4)nn3)C2)nn1.
What is the InChIKey of 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
The InChIKey is UEGQHTQNWYVIOS-VXKWHMMOSA-N. The full InChI is InChI=1S/C34H36F2N10O2/c35-23-17-45(18-23)27-8-10-37-25(13-27)15-33(47)39-31-6-4-29(41-43-31)21-2-1-3-22(12-21)30-5-7-32(44-42-30)40-34(48)16-26-14-28(9-11-38-26)46-19-24(36)20-46/h4-11,13-14,21-24H,1-3,12,15-20H2,(H,39,43,47)(H,40,44,48)/t21-,22-/m0/s1.
What are the key properties of 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?
2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 654.73 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[6-[(1S,3S)-3-[6-[[2-[4-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129135429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).