N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C20H19F5N4O — CID 66598078

IUPACN-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC1(F)CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C20H19F5N4O/c21-19(22)8-6-13(7-9-19)11-26-17-4-5-18-27-12-16(29(18)28-17)14-2-1-3-15(10-14)30-20(23,24)25/h1-5,10,12-13H,6-9,11H2,(H,26,28)
InChIKeyRSZUBHQAMMLKFH-UHFFFAOYSA-N
MW426.39 g/mol
LogP5.53
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66598078) has the molecular formula C20H19F5N4O and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID66598078
Molecular FormulaC20H19F5N4O
Molecular Weight426.39 g/mol
Exact Mass426.15
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC1(F)CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C20H19F5N4O/c21-19(22)8-6-13(7-9-19)11-26-17-4-5-18-27-12-16(29(18)28-17)14-2-1-3-15(10-14)30-20(23,24)25/h1-5,10,12-13H,6-9,11H2,(H,26,28)
InChIKeyRSZUBHQAMMLKFH-UHFFFAOYSA-N
XLogP5.53
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 66598078) is N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is FC1(F)CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RSZUBHQAMMLKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O/c21-19(22)8-6-13(7-9-19)11-26-17-4-5-18-27-12-16(29(18)28-17)14-2-1-3-15(10-14)30-20(23,24)25/h1-5,10,12-13H,6-9,11H2,(H,26,28).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 426.39 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66598078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).