N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide

C26H26FN7O — CID 58335556

IUPACN-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)C1
InChIInChI=1S/C26H26FN7O/c1-17(35)29-20-15-32(16-20)25-9-3-7-21(30-25)23-14-28-24-10-11-26(31-34(23)24)33-12-4-8-22(33)18-5-2-6-19(27)13-18/h2-3,5-7,9-11,13-14,20,22H,4,8,12,15-16H2,1H3,(H,29,35)/t22-/m1/s1
InChIKeyRGSPMEQOYBUTLX-JOCHJYFZSA-N
MW471.54 g/mol
LogP3.60
Rot. Bonds5

About N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide

N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide (PubChem CID 58335556) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide
PubChem CID58335556
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC NameN-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)C1
InChIInChI=1S/C26H26FN7O/c1-17(35)29-20-15-32(16-20)25-9-3-7-21(30-25)23-14-28-24-10-11-26(31-34(23)24)33-12-4-8-22(33)18-5-2-6-19(27)13-18/h2-3,5-7,9-11,13-14,20,22H,4,8,12,15-16H2,1H3,(H,29,35)/t22-/m1/s1
InChIKeyRGSPMEQOYBUTLX-JOCHJYFZSA-N
XLogP3.60
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide (CID 58335556) is N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide is CC(=O)NC1CN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)C1.
What is the InChIKey of N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
The InChIKey is RGSPMEQOYBUTLX-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H26FN7O/c1-17(35)29-20-15-32(16-20)25-9-3-7-21(30-25)23-14-28-24-10-11-26(31-34(23)24)33-12-4-8-22(33)18-5-2-6-19(27)13-18/h2-3,5-7,9-11,13-14,20,22H,4,8,12,15-16H2,1H3,(H,29,35)/t22-/m1/s1.
What are the key properties of N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide?
N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide has a molecular weight of 471.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 58335556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).