5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H22N8O3 — CID 175774164

IUPAC5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nncc(NC(=O)C2CC2)c1Nc1cccc(-n2cnc(C)n2)c1OC
InChIInChI=1S/C20H22N8O3/c1-11-22-10-28(27-11)15-6-4-5-13(18(15)31-3)24-16-14(25-19(29)12-7-8-12)9-23-26-17(16)20(30)21-2/h4-6,9-10,12H,7-8H2,1-3H3,(H,21,30)(H,23,24)(H,25,26,29)/i2D3
InChIKeyVSUQLPQGVUVUQL-BMSJAHLVSA-N
MW425.47 g/mol
LogP1.83
Rot. Bonds8

About 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175774164) has the molecular formula C20H22N8O3 and a molecular weight of 425.47 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID175774164
Molecular FormulaC20H22N8O3
Molecular Weight425.47 g/mol
Exact Mass425.20
IUPAC Name5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nncc(NC(=O)C2CC2)c1Nc1cccc(-n2cnc(C)n2)c1OC
InChIInChI=1S/C20H22N8O3/c1-11-22-10-28(27-11)15-6-4-5-13(18(15)31-3)24-16-14(25-19(29)12-7-8-12)9-23-26-17(16)20(30)21-2/h4-6,9-10,12H,7-8H2,1-3H3,(H,21,30)(H,23,24)(H,25,26,29)/i2D3
InChIKeyVSUQLPQGVUVUQL-BMSJAHLVSA-N
XLogP1.83
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-(cyclopropanecarbonylamino)-4-[3-[6-(2-hydroxypropan-2-yl)pyridazin-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175858731
N-[5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-2-(trideuteriomethylamino)ethyl]pyridazin-4-yl]cyclopropanecarboxamide
CID 166059686
5-cyano-6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021004
5-(cyclopropanecarbonylamino)-6-fluoro-3-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 167316505
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
5-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 172718914
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
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-(2-methylimidazol-1-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604026
4-[3-(5-amino-1,3-thiazol-2-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584853
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 75202034

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175774164) is 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nncc(NC(=O)C2CC2)c1Nc1cccc(-n2cnc(C)n2)c1OC.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is VSUQLPQGVUVUQL-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H22N8O3/c1-11-22-10-28(27-11)15-6-4-5-13(18(15)31-3)24-16-14(25-19(29)12-7-8-12)9-23-26-17(16)20(30)21-2/h4-6,9-10,12H,7-8H2,1-3H3,(H,21,30)(H,23,24)(H,25,26,29)/i2D3.
What are the key properties of 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175774164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).