6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C21H24N8O4 — CID 175742141

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CNC)n2)c1OC
InChIInChI=1S/C21H24N8O4/c1-22-10-16-26-19(29-33-16)12-5-4-6-13(18(12)32-3)24-14-9-15(25-20(30)11-7-8-11)27-28-17(14)21(31)23-2/h4-6,9,11,22H,7-8,10H2,1-3H3,(H,23,31)(H2,24,25,27,30)/i2D3
InChIKeyFVACNCHMCWKZES-BMSJAHLVSA-N
MW455.49 g/mol
LogP1.71
Rot. Bonds10

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175742141) has the molecular formula C21H24N8O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID175742141
Molecular FormulaC21H24N8O4
Molecular Weight455.49 g/mol
Exact Mass455.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CNC)n2)c1OC
InChIInChI=1S/C21H24N8O4/c1-22-10-16-26-19(29-33-16)12-5-4-6-13(18(12)32-3)24-14-9-15(25-20(30)11-7-8-11)27-28-17(14)21(31)23-2/h4-6,9,11,22H,7-8,10H2,1-3H3,(H,23,31)(H2,24,25,27,30)/i2D3
InChIKeyFVACNCHMCWKZES-BMSJAHLVSA-N
XLogP1.71
TPSA156.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
CID 170318085
3-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide
CID 166584992
6-(cyclopropanecarbonylamino)-4-[3-[5-[(cyclopropylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 166584855
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585128
6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160507017
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175957194
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-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585052
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(2-methylimidazol-1-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604026
6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028726

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175742141) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CNC)n2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is FVACNCHMCWKZES-BMSJAHLVSA-N. The full InChI is InChI=1S/C21H24N8O4/c1-22-10-16-26-19(29-33-16)12-5-4-6-13(18(12)32-3)24-14-9-15(25-20(30)11-7-8-11)27-28-17(14)21(31)23-2/h4-6,9,11,22H,7-8,10H2,1-3H3,(H,23,31)(H2,24,25,27,30)/i2D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 1.71, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175742141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).