1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one

C25H23F3N6O3 — CID 25120509

IUPAC1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OCCN1CCCC1=O
InChIInChI=1S/C25H23F3N6O3/c1-36-21-12-15(4-6-20(21)37-10-9-33-8-2-3-23(33)35)18-5-7-22-30-14-19(34(22)32-18)16-11-17(25(26,27)28)24(29)31-13-16/h4-7,11-14H,2-3,8-10H2,1H3,(H2,29,31)
InChIKeyYEXXSCWPIGCFAD-UHFFFAOYSA-N
MW512.49 g/mol
LogP4.07
Rot. Bonds7

About 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one

1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one (PubChem CID 25120509) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one
PubChem CID25120509
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC Name1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OCCN1CCCC1=O
InChIInChI=1S/C25H23F3N6O3/c1-36-21-12-15(4-6-20(21)37-10-9-33-8-2-3-23(33)35)18-5-7-22-30-14-19(34(22)32-18)16-11-17(25(26,27)28)24(29)31-13-16/h4-7,11-14H,2-3,8-10H2,1H3,(H2,29,31)
InChIKeyYEXXSCWPIGCFAD-UHFFFAOYSA-N
XLogP4.07
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one 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 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one (CID 25120509) is 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one is COc1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is YEXXSCWPIGCFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-36-21-12-15(4-6-20(21)37-10-9-33-8-2-3-23(33)35)18-5-7-22-30-14-19(34(22)32-18)16-11-17(25(26,27)28)24(29)31-13-16/h4-7,11-14H,2-3,8-10H2,1H3,(H2,29,31).
What are the key properties of 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one?
1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 512.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 25120509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).