6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

C21H22FN7O4 — CID 170318085

IUPAC6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CCF)n2)c1OC
InChIInChI=1S/C21H22FN7O4/c1-23-21(31)17-14(10-15(27-28-17)25-20(30)11-6-7-11)24-13-5-3-4-12(18(13)32-2)19-26-16(8-9-22)33-29-19/h3-5,10-11H,6-9H2,1-2H3,(H,23,31)(H2,24,25,27,30)
InChIKeyPAOMBRHVEIFGNT-UHFFFAOYSA-N
MW455.45 g/mol
LogP2.50
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (PubChem CID 170318085) has the molecular formula C21H22FN7O4 and a molecular weight of 455.45 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
PubChem CID170318085
Molecular FormulaC21H22FN7O4
Molecular Weight455.45 g/mol
Exact Mass455.17
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CCF)n2)c1OC
InChIInChI=1S/C21H22FN7O4/c1-23-21(31)17-14(10-15(27-28-17)25-20(30)11-6-7-11)24-13-5-3-4-12(18(13)32-2)19-26-16(8-9-22)33-29-19/h3-5,10-11H,6-9H2,1-2H3,(H,23,31)(H2,24,25,27,30)
InChIKeyPAOMBRHVEIFGNT-UHFFFAOYSA-N
XLogP2.50
TPSA144.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175742141
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-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585052
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585128
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-[2-methoxy-3-[5-[[methyl(2,2,2-trifluoroethylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
CID 166585134
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175957194
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
6-(cyclopropanecarbonylamino)-4-[[4-[5-[(1S)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-3-methoxy-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 160880208
methyl N-[6-carbamoyl-5-[2-methoxy-3-[5-(2-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]anilino]pyridazin-3-yl]carbamate
CID 154666289
6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160507017

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (CID 170318085) is 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2noc(CCF)n2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is PAOMBRHVEIFGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O4/c1-23-21(31)17-14(10-15(27-28-17)25-20(30)11-6-7-11)24-13-5-3-4-12(18(13)32-2)19-26-16(8-9-22)33-29-19/h3-5,10-11H,6-9H2,1-2H3,(H,23,31)(H2,24,25,27,30).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 455.45 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 170318085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).