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

C19H25F2N5O — CID 157030508

IUPACN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESNCc1cn2ncc(C(CC3CCC3)NC(=O)CC3CC(F)(F)C3)cc2n1
InChIInChI=1S/C19H25F2N5O/c20-19(21)7-13(8-19)5-18(27)25-16(4-12-2-1-3-12)14-6-17-24-15(9-22)11-26(17)23-10-14/h6,10-13,16H,1-5,7-9,22H2,(H,25,27)
InChIKeyFVWUZZAGFGHIGB-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.97
Rot. Bonds7

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

N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 157030508) has the molecular formula C19H25F2N5O and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID157030508
Molecular FormulaC19H25F2N5O
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC NameN-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESNCc1cn2ncc(C(CC3CCC3)NC(=O)CC3CC(F)(F)C3)cc2n1
InChIInChI=1S/C19H25F2N5O/c20-19(21)7-13(8-19)5-18(27)25-16(4-12-2-1-3-12)14-6-17-24-15(9-22)11-26(17)23-10-14/h6,10-13,16H,1-5,7-9,22H2,(H,25,27)
InChIKeyFVWUZZAGFGHIGB-UHFFFAOYSA-N
XLogP2.97
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 157030508) is N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide is NCc1cn2ncc(C(CC3CCC3)NC(=O)CC3CC(F)(F)C3)cc2n1.
What is the InChIKey of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is FVWUZZAGFGHIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O/c20-19(21)7-13(8-19)5-18(27)25-16(4-12-2-1-3-12)14-6-17-24-15(9-22)11-26(17)23-10-14/h6,10-13,16H,1-5,7-9,22H2,(H,25,27).
What are the key properties of N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyclobutylethyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 157030508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).