6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

C21H23FN8O3 — CID 167672513

IUPAC6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)c(C)c(-c2cnn(C)n2)c1OC
InChIInChI=1S/C21H23FN8O3/c1-10-12(22)7-14(19(33-4)17(10)15-9-24-30(3)29-15)25-13-8-16(26-20(31)11-5-6-11)27-28-18(13)21(32)23-2/h7-9,11H,5-6H2,1-4H3,(H,23,32)(H2,25,26,27,31)
InChIKeyVHNNQVLJZOXNOS-UHFFFAOYSA-N
MW454.47 g/mol
LogP2.18
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 167672513) has the molecular formula C21H23FN8O3 and a molecular weight of 454.47 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
PubChem CID167672513
Molecular FormulaC21H23FN8O3
Molecular Weight454.47 g/mol
Exact Mass454.19
IUPAC Name6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)c(C)c(-c2cnn(C)n2)c1OC
InChIInChI=1S/C21H23FN8O3/c1-10-12(22)7-14(19(33-4)17(10)15-9-24-30(3)29-15)25-13-8-16(26-20(31)11-5-6-11)27-28-18(13)21(32)23-2/h7-9,11H,5-6H2,1-4H3,(H,23,32)(H2,25,26,27,31)
InChIKeyVHNNQVLJZOXNOS-UHFFFAOYSA-N
XLogP2.18
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167705488
3-bromo-2,5-dimethoxyaniline;6-(cyclopropanecarbonylamino)-4-[2,5-dimethoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide;2,5-dimethoxy-3-(2-methyltriazol-4-yl)aniline;(2-methyltriazol-4-yl)boronic acid
CID 167569370
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-5-fluoro-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822314
6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166510214
4-[5-chloro-3-(2-ethyltriazol-4-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172815649
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
6-(cyclopropanecarbonylamino)-4-[5-fluoro-3-[5-(1-hydroxyethyl)pyrazin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492838
6-(cyclopropanecarbonylamino)-4-[3-[5-fluoro-6-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-pyridinyl]-2-methoxy-4-methylanilino]-N-methylpyridazine-3-carboxamide
CID 167486648
6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167560703
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584963
6-[(1,1-dioxothietane-3-carbonyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 166780262

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide (CID 167672513) is 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)c(C)c(-c2cnn(C)n2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is VHNNQVLJZOXNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O3/c1-10-12(22)7-14(19(33-4)17(10)15-9-24-30(3)29-15)25-13-8-16(26-20(31)11-5-6-11)27-28-18(13)21(32)23-2/h7-9,11H,5-6H2,1-4H3,(H,23,32)(H2,25,26,27,31).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[5-fluoro-2-methoxy-4-methyl-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167672513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).