N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide

C16H18F2N6O — CID 166825486

IUPACN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESN#CCC(NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CN)nc2c1
InChIInChI=1S/C16H18F2N6O/c17-16(18)5-10(6-16)3-15(25)23-13(1-2-19)11-4-14-22-12(7-20)9-24(14)21-8-11/h4,8-10,13H,1,3,5-7,20H2,(H,23,25)
InChIKeyFUFWPZHBVJJSCA-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.69
Rot. Bonds6

About N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide

N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 166825486) has the molecular formula C16H18F2N6O and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID166825486
Molecular FormulaC16H18F2N6O
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC NameN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESN#CCC(NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CN)nc2c1
InChIInChI=1S/C16H18F2N6O/c17-16(18)5-10(6-16)3-15(25)23-13(1-2-19)11-4-14-22-12(7-20)9-24(14)21-8-11/h4,8-10,13H,1,3,5-7,20H2,(H,23,25)
InChIKeyFUFWPZHBVJJSCA-UHFFFAOYSA-N
XLogP1.69
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 166825486) is N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide is N#CCC(NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CN)nc2c1.
What is the InChIKey of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is FUFWPZHBVJJSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O/c17-16(18)5-10(6-16)3-15(25)23-13(1-2-19)11-4-14-22-12(7-20)9-24(14)21-8-11/h4,8-10,13H,1,3,5-7,20H2,(H,23,25).
What are the key properties of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 166825486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).