3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide

C20H21F3N6O3 — CID 157031844

IUPAC3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESO=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)c3conc3C3CCC3)nc2c1
InChIInChI=1S/C20H21F3N6O3/c21-20(22,23)5-4-17(30)24-7-12-6-16-27-14(10-29(16)26-8-12)9-25-19(31)15-11-32-28-18(15)13-2-1-3-13/h6,8,10-11,13H,1-5,7,9H2,(H,24,30)(H,25,31)
InChIKeySVPHSBBQYCHIID-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.87
Rot. Bonds8

About 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide

3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 157031844) has the molecular formula C20H21F3N6O3 and a molecular weight of 450.42 g/mol. Its IUPAC name is 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID157031844
Molecular FormulaC20H21F3N6O3
Molecular Weight450.42 g/mol
Exact Mass450.16
IUPAC Name3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESO=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)c3conc3C3CCC3)nc2c1
InChIInChI=1S/C20H21F3N6O3/c21-20(22,23)5-4-17(30)24-7-12-6-16-27-14(10-29(16)26-8-12)9-25-19(31)15-11-32-28-18(15)13-2-1-3-13/h6,8,10-11,13H,1-5,7,9H2,(H,24,30)(H,25,31)
InChIKeySVPHSBBQYCHIID-UHFFFAOYSA-N
XLogP2.87
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxamide
CID 166825261
3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031940
N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane
CID 157030956
2-chloro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157031187
4-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157030931
5-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 166825331
4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 157030510
3-ethyl-5-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 166825310
4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 166825816
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031379
cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide
CID 157030557
cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide
CID 157031441

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide (CID 157031844) is 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide is O=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)c3conc3C3CCC3)nc2c1.
What is the InChIKey of 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SVPHSBBQYCHIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O3/c21-20(22,23)5-4-17(30)24-7-12-6-16-27-14(10-29(16)26-8-12)9-25-19(31)15-11-32-28-18(15)13-2-1-3-13/h6,8,10-11,13H,1-5,7,9H2,(H,24,30)(H,25,31).
What are the key properties of 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide?
3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 157031844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).