7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C25H32F3N5O — CID 71203657

IUPAC7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCc1c(NCC2CCN(C)CC2)nn2c(-c3cccc(OC(F)(F)F)c3)cnc2c1C
InChIInChI=1S/C25H32F3N5O/c1-4-5-9-21-17(2)24-30-16-22(19-7-6-8-20(14-19)34-25(26,27)28)33(24)31-23(21)29-15-18-10-12-32(3)13-11-18/h6-8,14,16,18H,4-5,9-13,15H2,1-3H3,(H,29,31)
InChIKeyVNXUEIKBGAYOLT-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.70
Rot. Bonds8

About 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 71203657) has the molecular formula C25H32F3N5O and a molecular weight of 475.56 g/mol. Its IUPAC name is 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID71203657
Molecular FormulaC25H32F3N5O
Molecular Weight475.56 g/mol
Exact Mass475.26
IUPAC Name7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCc1c(NCC2CCN(C)CC2)nn2c(-c3cccc(OC(F)(F)F)c3)cnc2c1C
InChIInChI=1S/C25H32F3N5O/c1-4-5-9-21-17(2)24-30-16-22(19-7-6-8-20(14-19)34-25(26,27)28)33(24)31-23(21)29-15-18-10-12-32(3)13-11-18/h6-8,14,16,18H,4-5,9-13,15H2,1-3H3,(H,29,31)
InChIKeyVNXUEIKBGAYOLT-UHFFFAOYSA-N
XLogP5.70
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 71203657) is 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is CCCCc1c(NCC2CCN(C)CC2)nn2c(-c3cccc(OC(F)(F)F)c3)cnc2c1C.
What is the InChIKey of 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VNXUEIKBGAYOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O/c1-4-5-9-21-17(2)24-30-16-22(19-7-6-8-20(14-19)34-25(26,27)28)33(24)31-23(21)29-15-18-10-12-32(3)13-11-18/h6-8,14,16,18H,4-5,9-13,15H2,1-3H3,(H,29,31).
What are the key properties of 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 475.56 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 71203657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).