6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C25H28N6O4 — CID 157028795

IUPAC6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)cn2)c1OC
InChIInChI=1S/C25H28N6O4/c1-25(2,34)15-10-11-17(27-13-15)16-6-5-7-18(22(16)35-4)28-19-12-20(29-23(32)14-8-9-14)30-31-21(19)24(33)26-3/h5-7,10-14,34H,8-9H2,1-4H3,(H,26,33)(H2,28,29,30,32)/i3D3
InChIKeyYICKYLBZLUTENS-HPRDVNIFSA-N
MW479.56 g/mol
LogP3.23
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 157028795) has the molecular formula C25H28N6O4 and a molecular weight of 479.56 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID157028795
Molecular FormulaC25H28N6O4
Molecular Weight479.56 g/mol
Exact Mass479.24
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)cn2)c1OC
InChIInChI=1S/C25H28N6O4/c1-25(2,34)15-10-11-17(27-13-15)16-6-5-7-18(22(16)35-4)28-19-12-20(29-23(32)14-8-9-14)30-31-21(19)24(33)26-3/h5-7,10-14,34H,8-9H2,1-4H3,(H,26,33)(H2,28,29,30,32)/i3D3
InChIKeyYICKYLBZLUTENS-HPRDVNIFSA-N
XLogP3.23
TPSA138.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-[3-[5-(dimethylcarbamoyl)pyrimidin-2-yl]-5-fluoro-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028702
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028706
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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 157028795) is 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)cn2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is YICKYLBZLUTENS-HPRDVNIFSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-25(2,34)15-10-11-17(27-13-15)16-6-5-7-18(22(16)35-4)28-19-12-20(29-23(32)14-8-9-14)30-31-21(19)24(33)26-3/h5-7,10-14,34H,8-9H2,1-4H3,(H,26,33)(H2,28,29,30,32)/i3D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.23, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 157028795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).