3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide

C23H19F3N6O3 — CID 68673832

IUPAC3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide
SMILESNC(=O)C1(COc2ccc(-c3ccc4ncc(-c5cnc(N)c(C(F)(F)F)c5)n4n3)cc2)COC1
InChIInChI=1S/C23H19F3N6O3/c24-23(25,26)16-7-14(8-30-20(16)27)18-9-29-19-6-5-17(31-32(18)19)13-1-3-15(4-2-13)35-12-22(21(28)33)10-34-11-22/h1-9H,10-12H2,(H2,27,30)(H2,28,33)
InChIKeyOHNKWWPOKFSIGR-UHFFFAOYSA-N
MW484.44 g/mol
LogP2.94
Rot. Bonds6

About 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide

3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide (PubChem CID 68673832) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide
PubChem CID68673832
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide
SMILESNC(=O)C1(COc2ccc(-c3ccc4ncc(-c5cnc(N)c(C(F)(F)F)c5)n4n3)cc2)COC1
InChIInChI=1S/C23H19F3N6O3/c24-23(25,26)16-7-14(8-30-20(16)27)18-9-29-19-6-5-17(31-32(18)19)13-1-3-15(4-2-13)35-12-22(21(28)33)10-34-11-22/h1-9H,10-12H2,(H2,27,30)(H2,28,33)
InChIKeyOHNKWWPOKFSIGR-UHFFFAOYSA-N
XLogP2.94
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide?
The IUPAC name of 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide (CID 68673832) is 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide?
The canonical SMILES for 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide is NC(=O)C1(COc2ccc(-c3ccc4ncc(-c5cnc(N)c(C(F)(F)F)c5)n4n3)cc2)COC1.
What is the InChIKey of 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide?
The InChIKey is OHNKWWPOKFSIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c24-23(25,26)16-7-14(8-30-20(16)27)18-9-29-19-6-5-17(31-32(18)19)13-1-3-15(4-2-13)35-12-22(21(28)33)10-34-11-22/h1-9H,10-12H2,(H2,27,30)(H2,28,33).
What are the key properties of 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide?
3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide is sourced from PubChem (CID 68673832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).