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

C21H17F3N4O2 — CID 66603848

IUPACN-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C21H17F3N4O2/c1-29-16-7-5-14(6-8-16)12-25-19-9-10-20-26-13-18(28(20)27-19)15-3-2-4-17(11-15)30-21(22,23)24/h2-11,13H,12H2,1H3,(H,25,27)
InChIKeyJTLUUMDUCUTWEW-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.92
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66603848) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID66603848
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1
InChIInChI=1S/C21H17F3N4O2/c1-29-16-7-5-14(6-8-16)12-25-19-9-10-20-26-13-18(28(20)27-19)15-3-2-4-17(11-15)30-21(22,23)24/h2-11,13H,12H2,1H3,(H,25,27)
InChIKeyJTLUUMDUCUTWEW-UHFFFAOYSA-N
XLogP4.92
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 66603848) is N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is COc1ccc(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is JTLUUMDUCUTWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-29-16-7-5-14(6-8-16)12-25-19-9-10-20-26-13-18(28(20)27-19)15-3-2-4-17(11-15)30-21(22,23)24/h2-11,13H,12H2,1H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 414.39 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66603848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).