1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

C22H17F3N4O2 — CID 166456018

IUPAC1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(COc2cc(C(F)(F)F)ccc2-c2nnc(N)c3cnccc23)cc1
InChIInChI=1S/C22H17F3N4O2/c1-30-15-5-2-13(3-6-15)12-31-19-10-14(22(23,24)25)4-7-17(19)20-16-8-9-27-11-18(16)21(26)29-28-20/h2-11H,12H2,1H3,(H2,26,29)
InChIKeyRRHRWMMGDDSTKV-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.88
Rot. Bonds5

About 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 166456018) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID166456018
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESCOc1ccc(COc2cc(C(F)(F)F)ccc2-c2nnc(N)c3cnccc23)cc1
InChIInChI=1S/C22H17F3N4O2/c1-30-15-5-2-13(3-6-15)12-31-19-10-14(22(23,24)25)4-7-17(19)20-16-8-9-27-11-18(16)21(26)29-28-20/h2-11H,12H2,1H3,(H2,26,29)
InChIKeyRRHRWMMGDDSTKV-UHFFFAOYSA-N
XLogP4.88
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (CID 166456018) is 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is COc1ccc(COc2cc(C(F)(F)F)ccc2-c2nnc(N)c3cnccc23)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is RRHRWMMGDDSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-30-15-5-2-13(3-6-15)12-31-19-10-14(22(23,24)25)4-7-17(19)20-16-8-9-27-11-18(16)21(26)29-28-20/h2-11H,12H2,1H3,(H2,26,29).
What are the key properties of 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 426.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 166456018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).