6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C21H21N7O3 — CID 139512185

IUPAC6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ccccn2)c1OC
InChIInChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-6-7-12)25-19-18(31-2)13(8-10-24-19)14-5-3-4-9-23-14/h3-5,8-12H,6-7H2,1-2H3,(H,22,30)(H2,24,25,26,27,29)/i1D3
InChIKeyVBRPYHSZRBMMQB-FIBGUPNXSA-N
MW422.46 g/mol
LogP2.39
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 139512185) has the molecular formula C21H21N7O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID139512185
Molecular FormulaC21H21N7O3
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ccccn2)c1OC
InChIInChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-6-7-12)25-19-18(31-2)13(8-10-24-19)14-5-3-4-9-23-14/h3-5,8-12H,6-7H2,1-2H3,(H,22,30)(H2,24,25,26,27,29)/i1D3
InChIKeyVBRPYHSZRBMMQB-FIBGUPNXSA-N
XLogP2.39
TPSA131.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
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-[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-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028779

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 139512185) is 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2ccccn2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is VBRPYHSZRBMMQB-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-6-7-12)25-19-18(31-2)13(8-10-24-19)14-5-3-4-9-23-14/h3-5,8-12H,6-7H2,1-2H3,(H,22,30)(H2,24,25,26,27,29)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(3-methoxy-4-pyridin-2-yl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 139512185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).