4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide

C17H17F3N6O3 — CID 157030510

IUPAC4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C17H17F3N6O3/c1-10-5-24-29-15(10)16(28)22-8-12-9-26-13(25-12)4-11(7-23-26)6-21-14(27)2-3-17(18,19)20/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,27)(H,22,28)
InChIKeyAMMOAJRITHXCHR-UHFFFAOYSA-N
MW410.36 g/mol
LogP1.91
Rot. Bonds7

About 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide

4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 157030510) has the molecular formula C17H17F3N6O3 and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID157030510
Molecular FormulaC17H17F3N6O3
Molecular Weight410.36 g/mol
Exact Mass410.13
IUPAC Name4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C17H17F3N6O3/c1-10-5-24-29-15(10)16(28)22-8-12-9-26-13(25-12)4-11(7-23-26)6-21-14(27)2-3-17(18,19)20/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,27)(H,22,28)
InChIKeyAMMOAJRITHXCHR-UHFFFAOYSA-N
XLogP1.91
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

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-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
3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031940
2-chloro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157031187
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
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
(Z)-3-amino-2-aminosulfanyl-4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pent-2-enamide
CID 166825829
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
3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031844
N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166825449

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide (CID 157030510) is 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.
What is the InChIKey of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is AMMOAJRITHXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O3/c1-10-5-24-29-15(10)16(28)22-8-12-9-26-13(25-12)4-11(7-23-26)6-21-14(27)2-3-17(18,19)20/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,27)(H,22,28).
What are the key properties of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?
4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 410.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 157030510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).