Skip to content

6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide

C22H23FN8O3 — CID 154663037

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(C(=O)NC2CC2)cc1Nc1cc(F)cc(-c2ncn(C3CC3)n2)c1OC
InChIInChI=1S/C22H23FN8O3/c1-24-22(33)18-15(9-17(28-29-18)21(32)26-12-3-4-12)27-16-8-11(23)7-14(19(16)34-2)20-25-10-31(30-20)13-5-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,24,33)(H,26,32)(H,27,28)/i1D3
InChIKeyYMMSKLPSJPITID-FIBGUPNXSA-N
MW469.50 g/mol
LogP2.21
Rot. Bonds9

About 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide

6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide (PubChem CID 154663037) has the molecular formula C22H23FN8O3 and a molecular weight of 469.50 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide
PubChem CID154663037
Molecular FormulaC22H23FN8O3
Molecular Weight469.50 g/mol
Exact Mass469.21
IUPAC Name6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(C(=O)NC2CC2)cc1Nc1cc(F)cc(-c2ncn(C3CC3)n2)c1OC
InChIInChI=1S/C22H23FN8O3/c1-24-22(33)18-15(9-17(28-29-18)21(32)26-12-3-4-12)27-16-8-11(23)7-14(19(16)34-2)20-25-10-31(30-20)13-5-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,24,33)(H,26,32)(H,27,28)/i1D3
InChIKeyYMMSKLPSJPITID-FIBGUPNXSA-N
XLogP2.21
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
The IUPAC name of 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide (CID 154663037) is 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(C(=O)NC2CC2)cc1Nc1cc(F)cc(-c2ncn(C3CC3)n2)c1OC.
What is the InChIKey of 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
The InChIKey is YMMSKLPSJPITID-FIBGUPNXSA-N. The full InChI is InChI=1S/C22H23FN8O3/c1-24-22(33)18-15(9-17(28-29-18)21(32)26-12-3-4-12)27-16-8-11(23)7-14(19(16)34-2)20-25-10-31(30-20)13-5-6-13/h7-10,12-13H,3-6H2,1-2H3,(H,24,33)(H,26,32)(H,27,28)/i1D3.
What are the key properties of 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide is sourced from PubChem (CID 154663037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.