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

C25H24F3N7O3 — CID 59606629

IUPAC1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one
SMILESCOc1cc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OCCN1CCNC1=O
InChIInChI=1S/C25H24F3N7O3/c1-14-22(16-11-17(25(26,27)28)23(29)31-13-16)35-21(32-14)6-4-18(33-35)15-3-5-19(20(12-15)37-2)38-10-9-34-8-7-30-24(34)36/h3-6,11-13H,7-10H2,1-2H3,(H2,29,31)(H,30,36)
InChIKeyDODLZYWWULXYKC-UHFFFAOYSA-N
MW527.51 g/mol
LogP3.78
Rot. Bonds7

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

1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one (PubChem CID 59606629) has the molecular formula C25H24F3N7O3 and a molecular weight of 527.51 g/mol. Its IUPAC name is 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one
PubChem CID59606629
Molecular FormulaC25H24F3N7O3
Molecular Weight527.51 g/mol
Exact Mass527.19
IUPAC Name1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one
SMILESCOc1cc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OCCN1CCNC1=O
InChIInChI=1S/C25H24F3N7O3/c1-14-22(16-11-17(25(26,27)28)23(29)31-13-16)35-21(32-14)6-4-18(33-35)15-3-5-19(20(12-15)37-2)38-10-9-34-8-7-30-24(34)36/h3-6,11-13H,7-10H2,1-2H3,(H2,29,31)(H,30,36)
InChIKeyDODLZYWWULXYKC-UHFFFAOYSA-N
XLogP3.78
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one (CID 59606629) is 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one is COc1cc(-c2ccc3nc(C)c(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one?
The InChIKey is DODLZYWWULXYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O3/c1-14-22(16-11-17(25(26,27)28)23(29)31-13-16)35-21(32-14)6-4-18(33-35)15-3-5-19(20(12-15)37-2)38-10-9-34-8-7-30-24(34)36/h3-6,11-13H,7-10H2,1-2H3,(H2,29,31)(H,30,36).
What are the key properties of 1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one?
1-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one has a molecular weight of 527.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 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]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 59606629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).