N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide

C25H26FN7O2 — CID 118538832

IUPACN-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CC3CNC(=O)C3)ccc2n1
InChIInChI=1S/C25H26FN7O2/c1-25(2,3)24(35)30-19-13-33-20(29-19)9-8-18(31-33)23-22(16-4-6-17(26)7-5-16)28-14-32(23)12-15-10-21(34)27-11-15/h4-9,13-15H,10-12H2,1-3H3,(H,27,34)(H,30,35)
InChIKeyKJEWHTTZCPTSGU-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.52
Rot. Bonds5

About N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide

N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 118538832) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
PubChem CID118538832
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CC3CNC(=O)C3)ccc2n1
InChIInChI=1S/C25H26FN7O2/c1-25(2,3)24(35)30-19-13-33-20(29-19)9-8-18(31-33)23-22(16-4-6-17(26)7-5-16)28-14-32(23)12-15-10-21(34)27-11-15/h4-9,13-15H,10-12H2,1-3H3,(H,27,34)(H,30,35)
InChIKeyKJEWHTTZCPTSGU-UHFFFAOYSA-N
XLogP3.52
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide (CID 118538832) is N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3CC3CNC(=O)C3)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KJEWHTTZCPTSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-25(2,3)24(35)30-19-13-33-20(29-19)9-8-18(31-33)23-22(16-4-6-17(26)7-5-16)28-14-32(23)12-15-10-21(34)27-11-15/h4-9,13-15H,10-12H2,1-3H3,(H,27,34)(H,30,35).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide?
N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 475.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-[(5-oxopyrrolidin-3-yl)methyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118538832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).