N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane

C18H24F5N5O — CID 157031379

IUPACN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
SMILESFC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C12H14F3N5O.C6H10F2/c13-12(14,15)2-1-11(21)17-5-8-3-10-19-9(4-16)7-20(10)18-6-8;7-6(8)4-2-1-3-5-6/h3,6-7H,1-2,4-5,16H2,(H,17,21);1-5H2
InChIKeyLYPSATKBQRRKSE-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.73
Rot. Bonds5

About N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane

N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane (PubChem CID 157031379) has the molecular formula C18H24F5N5O and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane.

Molecular Properties

Compound NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
PubChem CID157031379
Molecular FormulaC18H24F5N5O
Molecular Weight421.41 g/mol
Exact Mass421.19
IUPAC NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
SMILESFC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C12H14F3N5O.C6H10F2/c13-12(14,15)2-1-11(21)17-5-8-3-10-19-9(4-16)7-20(10)18-6-8;7-6(8)4-2-1-3-5-6/h3,6-7H,1-2,4-5,16H2,(H,17,21);1-5H2
InChIKeyLYPSATKBQRRKSE-UHFFFAOYSA-N
XLogP3.73
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane
CID 157030786
N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031784
4-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157030931
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
4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 157030510
(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
2-chloro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157031187
2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane
CID 157031210
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
tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
CID 157031608
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane?
The IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane (CID 157031379) is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane.
What is the SMILES notation for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane?
The canonical SMILES for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane is FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.
What is the InChIKey of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane?
The InChIKey is LYPSATKBQRRKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O.C6H10F2/c13-12(14,15)2-1-11(21)17-5-8-3-10-19-9(4-16)7-20(10)18-6-8;7-6(8)4-2-1-3-5-6/h3,6-7H,1-2,4-5,16H2,(H,17,21);1-5H2.
What are the key properties of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane?
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane has a molecular weight of 421.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane is sourced from PubChem (CID 157031379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).