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

C18H19F3N6O3 — CID 157031940

IUPAC3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C18H19F3N6O3/c1-2-14-13(10-30-26-14)17(29)23-8-12-9-27-15(25-12)5-11(7-24-27)6-22-16(28)3-4-18(19,20)21/h5,7,9-10H,2-4,6,8H2,1H3,(H,22,28)(H,23,29)
InChIKeyBNHJGVHJEBGIGP-UHFFFAOYSA-N
MW424.38 g/mol
LogP2.17
Rot. Bonds8

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

3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 157031940) has the molecular formula C18H19F3N6O3 and a molecular weight of 424.38 g/mol. Its IUPAC name is 3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID157031940
Molecular FormulaC18H19F3N6O3
Molecular Weight424.38 g/mol
Exact Mass424.15
IUPAC Name3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1nocc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C18H19F3N6O3/c1-2-14-13(10-30-26-14)17(29)23-8-12-9-27-15(25-12)5-11(7-24-27)6-22-16(28)3-4-18(19,20)21/h5,7,9-10H,2-4,6,8H2,1H3,(H,22,28)(H,23,29)
InChIKeyBNHJGVHJEBGIGP-UHFFFAOYSA-N
XLogP2.17
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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-5-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 166825310
3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031844
2-chloro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157031187
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
4-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157030931
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
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-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-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide (CID 157031940) is 3-ethyl-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-ethyl-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-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.
What is the InChIKey of 3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BNHJGVHJEBGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O3/c1-2-14-13(10-30-26-14)17(29)23-8-12-9-27-15(25-12)5-11(7-24-27)6-22-16(28)3-4-18(19,20)21/h5,7,9-10H,2-4,6,8H2,1H3,(H,22,28)(H,23,29).
What are the key properties of 3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide?
3-ethyl-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 424.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-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 157031940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).