N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane

C23H33F4N5O — CID 157030721

IUPACN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane
SMILESC1CC1.FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1
InChIInChI=1S/C14H17F2N5O.C6H10F2.C3H6/c15-14(16)3-9(4-14)2-13(22)18-6-10-1-12-20-11(5-17)8-21(12)19-7-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;1-3H2
InChIKeyIFPDFGLMDBJPBN-UHFFFAOYSA-N
MW471.54 g/mol
LogP5.00
Rot. Bonds5

About N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane

N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane (PubChem CID 157030721) has the molecular formula C23H33F4N5O and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane.

Molecular Properties

Compound NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane
PubChem CID157030721
Molecular FormulaC23H33F4N5O
Molecular Weight471.54 g/mol
Exact Mass471.26
IUPAC NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane
SMILESC1CC1.FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1
InChIInChI=1S/C14H17F2N5O.C6H10F2.C3H6/c15-14(16)3-9(4-14)2-13(22)18-6-10-1-12-20-11(5-17)8-21(12)19-7-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;1-3H2
InChIKeyIFPDFGLMDBJPBN-UHFFFAOYSA-N
XLogP5.00
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane?
The IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane (CID 157030721) is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane.
What is the SMILES notation for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane?
The canonical SMILES for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane is C1CC1.FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1.
What is the InChIKey of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane?
The InChIKey is IFPDFGLMDBJPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O.C6H10F2.C3H6/c15-14(16)3-9(4-14)2-13(22)18-6-10-1-12-20-11(5-17)8-21(12)19-7-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;1-3H2.
What are the key properties of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane?
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane has a molecular weight of 471.54 g/mol, XLogP of 5.00, 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]-2-(3,3-difluorocyclobutyl)acetamide;cyclopropane;1,1-difluorocyclohexane is sourced from PubChem (CID 157030721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).