N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C24H24F3N5O3 — CID 134609660

IUPACN-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1
InChIInChI=1S/C24H24F3N5O3/c1-3-35-23-19(15-6-8-34-9-7-15)12-20(30-32-23)18-11-17(5-4-14(18)2)29-22(33)16-10-21(24(25,26)27)31-28-13-16/h4-5,10-13,15H,3,6-9H2,1-2H3,(H,29,33)
InChIKeyWGSGBMHEAJWXLX-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.81
Rot. Bonds6

About N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 134609660) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID134609660
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC NameN-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1
InChIInChI=1S/C24H24F3N5O3/c1-3-35-23-19(15-6-8-34-9-7-15)12-20(30-32-23)18-11-17(5-4-14(18)2)29-22(33)16-10-21(24(25,26)27)31-28-13-16/h4-5,10-13,15H,3,6-9H2,1-2H3,(H,29,33)
InChIKeyWGSGBMHEAJWXLX-UHFFFAOYSA-N
XLogP4.81
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 134609660) is N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1.
What is the InChIKey of N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is WGSGBMHEAJWXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-3-35-23-19(15-6-8-34-9-7-15)12-20(30-32-23)18-11-17(5-4-14(18)2)29-22(33)16-10-21(24(25,26)27)31-28-13-16/h4-5,10-13,15H,3,6-9H2,1-2H3,(H,29,33).
What are the key properties of N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 134609660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).