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

C20H21F6N7O2 — CID 166825331

IUPAC5-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cn3ncc(CNC(=O)CCC(F)(F)F)cc3n2)cnn1CCC(F)(F)F
InChIInChI=1S/C20H21F6N7O2/c1-12-15(10-30-32(12)5-4-20(24,25)26)18(35)28-9-14-11-33-16(31-14)6-13(8-29-33)7-27-17(34)2-3-19(21,22)23/h6,8,10-11H,2-5,7,9H2,1H3,(H,27,34)(H,28,35)
InChIKeyHQPOTIGXKIKOJG-UHFFFAOYSA-N
MW505.42 g/mol
LogP3.08
Rot. Bonds9

About 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

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 (PubChem CID 166825331) has the molecular formula C20H21F6N7O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID166825331
Molecular FormulaC20H21F6N7O2
Molecular Weight505.42 g/mol
Exact Mass505.17
IUPAC Name5-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cn3ncc(CNC(=O)CCC(F)(F)F)cc3n2)cnn1CCC(F)(F)F
InChIInChI=1S/C20H21F6N7O2/c1-12-15(10-30-32(12)5-4-20(24,25)26)18(35)28-9-14-11-33-16(31-14)6-13(8-29-33)7-27-17(34)2-3-19(21,22)23/h6,8,10-11H,2-5,7,9H2,1H3,(H,27,34)(H,28,35)
InChIKeyHQPOTIGXKIKOJG-UHFFFAOYSA-N
XLogP3.08
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-chloro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157031187
3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031940
4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 157030510
N-[(7-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]-5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide;1,1-difluorocyclohexane
CID 157031405
4-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157030931
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
1,1-difluorocyclohexane;N-[(7-ethenylimidazo[1,2-b]pyridazin-2-yl)methyl]-5-methyl-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 157031002
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
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-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031379

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(=O)NCc2cn3ncc(CNC(=O)CCC(F)(F)F)cc3n2)cnn1CCC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is HQPOTIGXKIKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N7O2/c1-12-15(10-30-32(12)5-4-20(24,25)26)18(35)28-9-14-11-33-16(31-14)6-13(8-29-33)7-27-17(34)2-3-19(21,22)23/h6,8,10-11H,2-5,7,9H2,1H3,(H,27,34)(H,28,35).
What are the key properties of 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?
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 has a molecular weight of 505.42 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166825331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).