N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide

About N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide

N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide (PubChem CID 141481010) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide.

Molecular Properties

Compound Name	N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide
PubChem CID	141481010
Molecular Formula	C26H26F2N6O2
Molecular Weight	492.53 g/mol
Exact Mass	492.21
IUPAC Name	N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide
SMILES	CC(=O)N1CC(N(C=O)c2cccc(-c3ccc(NCC4(c5ncccc5F)CC(F)C4)nn3)c2)C1
InChI	InChI=1S/C26H26F2N6O2/c1-17(36)33-13-21(14-33)34(16-35)20-5-2-4-18(10-20)23-7-8-24(32-31-23)30-15-26(11-19(27)12-26)25-22(28)6-3-9-29-25/h2-10,16,19,21H,11-15H2,1H3,(H,30,32)
InChIKey	CJAAUKPSEXBXNZ-UHFFFAOYSA-N
XLogP	3.35
TPSA	91.32 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide?

The IUPAC name of N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide (CID 141481010) is N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide.

What is the SMILES notation for N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide?

The canonical SMILES for N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide is CC(=O)N1CC(N(C=O)c2cccc(-c3ccc(NCC4(c5ncccc5F)CC(F)C4)nn3)c2)C1.

What is the InChIKey of N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide?

The InChIKey is CJAAUKPSEXBXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-17(36)33-13-21(14-33)34(16-35)20-5-2-4-18(10-20)23-7-8-24(32-31-23)30-15-26(11-19(27)12-26)25-22(28)6-3-9-29-25/h2-10,16,19,21H,11-15H2,1H3,(H,30,32).

What are the key properties of N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide?

N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide has a molecular weight of 492.53 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide is sourced from PubChem (CID 141481010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).