4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide

C19H21F3N6O2S — CID 166825816

IUPAC4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncsc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C19H21F3N6O2S/c1-11(2)16-17(31-10-25-16)18(30)24-8-13-9-28-14(27-13)5-12(7-26-28)6-23-15(29)3-4-19(20,21)22/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyWGOGSDCORDWZTQ-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.20
Rot. Bonds8

About 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide

4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 166825816) has the molecular formula C19H21F3N6O2S and a molecular weight of 454.48 g/mol. Its IUPAC name is 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID166825816
Molecular FormulaC19H21F3N6O2S
Molecular Weight454.48 g/mol
Exact Mass454.14
IUPAC Name4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncsc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C19H21F3N6O2S/c1-11(2)16-17(31-10-25-16)18(30)24-8-13-9-28-14(27-13)5-12(7-26-28)6-23-15(29)3-4-19(20,21)22/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyWGOGSDCORDWZTQ-UHFFFAOYSA-N
XLogP3.20
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 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) is 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide is CC(C)c1ncsc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.
What is the InChIKey of 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WGOGSDCORDWZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2S/c1-11(2)16-17(31-10-25-16)18(30)24-8-13-9-28-14(27-13)5-12(7-26-28)6-23-15(29)3-4-19(20,21)22/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166825816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).