N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C23H22F3N5O3 — CID 90456723

IUPACN-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C23H22F3N5O3/c1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33-2)30-29-18)31-7-9-34-10-8-31/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)
InChIKeyGWLBAKVUQIRRHZ-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.96
Rot. Bonds5

About N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 90456723) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID90456723
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C23H22F3N5O3/c1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33-2)30-29-18)31-7-9-34-10-8-31/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)
InChIKeyGWLBAKVUQIRRHZ-UHFFFAOYSA-N
XLogP3.96
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 90456723) is N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is GWLBAKVUQIRRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-14-3-4-16(28-21(32)15-5-6-27-20(11-15)23(24,25)26)12-17(14)18-13-19(22(33-2)30-29-18)31-7-9-34-10-8-31/h3-6,11-13H,7-10H2,1-2H3,(H,28,32).
What are the key properties of N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 90456723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).