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

C22H31F6N5O — CID 157030786

IUPACN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane
SMILESCC(F)F.FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1
InChIInChI=1S/C14H17F2N5O.C6H10F2.C2H4F2/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)4/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;2H,1H3
InChIKeyLJGGYWFYQIHYTH-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.10
Rot. Bonds5

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

N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane (PubChem CID 157030786) has the molecular formula C22H31F6N5O and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane.

Molecular Properties

Compound NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane
PubChem CID157030786
Molecular FormulaC22H31F6N5O
Molecular Weight495.51 g/mol
Exact Mass495.24
IUPAC NameN-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane
SMILESCC(F)F.FC1(F)CCCCC1.NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1
InChIInChI=1S/C14H17F2N5O.C6H10F2.C2H4F2/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)4/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;2H,1H3
InChIKeyLJGGYWFYQIHYTH-UHFFFAOYSA-N
XLogP5.10
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
acetonitrile;tert-butyl N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane
CID 157030821
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031379
4-amino-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
CID 166825252
tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
CID 157031608
N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide
CID 166825657
N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 166825486
2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide
CID 166825725
N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166825758
3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine
CID 157031026
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-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-methylpropyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031784

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;1,1-difluorocyclohexane;1,1-difluoroethane?
The IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane (CID 157030786) is N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane.
What is the SMILES notation for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane?
The canonical SMILES for N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane is CC(F)F.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;1,1-difluorocyclohexane;1,1-difluoroethane?
The InChIKey is LJGGYWFYQIHYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O.C6H10F2.C2H4F2/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)4/h1,7-9H,2-6,17H2,(H,18,22);1-5H2;2H,1H3.
What are the key properties of N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane?
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane has a molecular weight of 495.51 g/mol, XLogP of 5.10, 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;1,1-difluorocyclohexane;1,1-difluoroethane is sourced from PubChem (CID 157030786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).