2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide

C19H22ClN7O2 — CID 171474634

IUPAC2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1cc(CC)cc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C19H22ClN7O2/c1-5-11-6-12(16-10-22-27(3)26-16)19(29-4)15(7-11)23-13-8-17(20)25-24-14(13)9-18(28)21-2/h6-8,10H,5,9H2,1-4H3,(H,21,28)(H,23,25)/i2D3
InChIKeyMAKBYDWJESWMJX-BMSJAHLVSA-N
MW418.90 g/mol
LogP2.53
Rot. Bonds8

About 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide

2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide (PubChem CID 171474634) has the molecular formula C19H22ClN7O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
PubChem CID171474634
Molecular FormulaC19H22ClN7O2
Molecular Weight418.90 g/mol
Exact Mass418.17
IUPAC Name2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1cc(CC)cc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C19H22ClN7O2/c1-5-11-6-12(16-10-22-27(3)26-16)19(29-4)15(7-11)23-13-8-17(20)25-24-14(13)9-18(28)21-2/h6-8,10H,5,9H2,1-4H3,(H,21,28)(H,23,25)/i2D3
InChIKeyMAKBYDWJESWMJX-BMSJAHLVSA-N
XLogP2.53
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide 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 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The IUPAC name of 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide (CID 171474634) is 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The canonical SMILES for 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide is [2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1cc(CC)cc(-c2cnn(C)n2)c1OC.
What is the InChIKey of 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The InChIKey is MAKBYDWJESWMJX-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H22ClN7O2/c1-5-11-6-12(16-10-22-27(3)26-16)19(29-4)15(7-11)23-13-8-17(20)25-24-14(13)9-18(28)21-2/h6-8,10H,5,9H2,1-4H3,(H,21,28)(H,23,25)/i2D3.
What are the key properties of 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide has a molecular weight of 418.90 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 171474634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).