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

C23H23F3N6O3 — CID 90456412

IUPACN-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C23H23F3N6O3/c1-3-35-22-19(32-6-8-34-9-7-32)12-18(29-31-22)17-11-16(5-4-14(17)2)28-21(33)15-10-20(23(24,25)26)30-27-13-15/h4-5,10-13H,3,6-9H2,1-2H3,(H,28,33)
InChIKeyDMOUEXIMXNPRQR-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.75
Rot. Bonds6

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

N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 90456412) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID90456412
Molecular FormulaC23H23F3N6O3
Molecular Weight488.47 g/mol
Exact Mass488.18
IUPAC NameN-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C23H23F3N6O3/c1-3-35-22-19(32-6-8-34-9-7-32)12-18(29-31-22)17-11-16(5-4-14(17)2)28-21(33)15-10-20(23(24,25)26)30-27-13-15/h4-5,10-13H,3,6-9H2,1-2H3,(H,28,33)
InChIKeyDMOUEXIMXNPRQR-UHFFFAOYSA-N
XLogP3.75
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 90456412) is N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is DMOUEXIMXNPRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O3/c1-3-35-22-19(32-6-8-34-9-7-32)12-18(29-31-22)17-11-16(5-4-14(17)2)28-21(33)15-10-20(23(24,25)26)30-27-13-15/h4-5,10-13H,3,6-9H2,1-2H3,(H,28,33).
What are the key properties of N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 90456412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).