6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C24H27N7O4 — CID 157028789

IUPAC6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)nn2)c1OC
InChIInChI=1S/C24H27N7O4/c1-24(2,34)18-11-10-15(28-29-18)14-6-5-7-16(21(14)35-4)26-17-12-19(27-22(32)13-8-9-13)30-31-20(17)23(33)25-3/h5-7,10-13,34H,8-9H2,1-4H3,(H,25,33)(H2,26,27,30,32)/i3D3
InChIKeyLWXKNWHEEOPHMD-HPRDVNIFSA-N
MW480.54 g/mol
LogP2.62
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 157028789) has the molecular formula C24H27N7O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID157028789
Molecular FormulaC24H27N7O4
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)nn2)c1OC
InChIInChI=1S/C24H27N7O4/c1-24(2,34)18-11-10-15(28-29-18)14-6-5-7-16(21(14)35-4)26-17-12-19(27-22(32)13-8-9-13)30-31-20(17)23(33)25-3/h5-7,10-13,34H,8-9H2,1-4H3,(H,25,33)(H2,26,27,30,32)/i3D3
InChIKeyLWXKNWHEEOPHMD-HPRDVNIFSA-N
XLogP2.62
TPSA151.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

Deucravacitinib
CID 134821691
6-(cyclopropanecarboxamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-methylpyridazine-3-carboxamide
CID 138713709
6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
CID 156024956
6-(cyclopropanecarbonylamino)-4-[3-[5-(diethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028701
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrimidin-2-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028734
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028738
6-(cyclopropanecarbonylamino)-4-[3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028740
6-(cyclopropanecarbonylamino)-4-[3-[5-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028746
6-(cyclopropanecarbonylamino)-4-[3-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028762
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028772
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028795
6-(cyclopropanecarbonylamino)-4-[5-fluoro-3-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028799

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 157028789) is 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)nn2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is LWXKNWHEEOPHMD-HPRDVNIFSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-24(2,34)18-11-10-15(28-29-18)14-6-5-7-16(21(14)35-4)26-17-12-19(27-22(32)13-8-9-13)30-31-20(17)23(33)25-3/h5-7,10-13,34H,8-9H2,1-4H3,(H,25,33)(H2,26,27,30,32)/i3D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 2.62, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 157028789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).