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Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform

C20H30F5N5O2 — CID 157031608

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
SMILESCC(C)(C)OC(=O)NCc1cn2ncc(CN)cc2n1.FC(F)F.FC1(F)CCCCC1
InChIInChI=1S/C13H19N5O2.C6H10F2.CHF3/c1-13(2,3)20-12(19)15-7-10-8-18-11(17-10)4-9(5-14)6-16-18;7-6(8)4-2-1-3-5-6;2-1(3)4/h4,6,8H,5,7,14H2,1-3H3,(H,15,19);1-5H2;1H
InChIKeyYFSRSQJGSJZZIJ-UHFFFAOYSA-N
MW467.48 g/mol
LogP4.98
Rot. Bonds3

About Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform

Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform (PubChem CID 157031608) has the molecular formula C20H30F5N5O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform.

Molecular Properties

Compound NameTert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
PubChem CID157031608
Molecular FormulaC20H30F5N5O2
Molecular Weight467.48 g/mol
Exact Mass467.23
IUPAC Nametert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
SMILESCC(C)(C)OC(=O)NCc1cn2ncc(CN)cc2n1.FC(F)F.FC1(F)CCCCC1
InChIInChI=1S/C13H19N5O2.C6H10F2.CHF3/c1-13(2,3)20-12(19)15-7-10-8-18-11(17-10)4-9(5-14)6-16-18;7-6(8)4-2-1-3-5-6;2-1(3)4/h4,6,8H,5,7,14H2,1-3H3,(H,15,19);1-5H2;1H
InChIKeyYFSRSQJGSJZZIJ-UHFFFAOYSA-N
XLogP4.98
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform?
The IUPAC name of Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform (CID 157031608) is tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform.
What is the SMILES notation for Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform?
The canonical SMILES for Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform is CC(C)(C)OC(=O)NCc1cn2ncc(CN)cc2n1.FC(F)F.FC1(F)CCCCC1.
What is the InChIKey of Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform?
The InChIKey is YFSRSQJGSJZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2.C6H10F2.CHF3/c1-13(2,3)20-12(19)15-7-10-8-18-11(17-10)4-9(5-14)6-16-18;7-6(8)4-2-1-3-5-6;2-1(3)4/h4,6,8H,5,7,14H2,1-3H3,(H,15,19);1-5H2;1H.
What are the key properties of Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform?
Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform has a molecular weight of 467.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform is sourced from PubChem (CID 157031608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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