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

C19H22ClN7O2 — CID 171474625

IUPAC2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1cccc(-c2nn(C)nc2CC)c1OC
InChIInChI=1S/C19H22ClN7O2/c1-5-12-18(26-27(3)25-12)11-7-6-8-13(19(11)29-4)22-14-9-16(20)24-23-15(14)10-17(28)21-2/h6-9H,5,10H2,1-4H3,(H,21,28)(H,22,24)/i2D3
InChIKeyAJPJJBAITYGHSM-BMSJAHLVSA-N
MW418.90 g/mol
LogP2.53
Rot. Bonds8

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

2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide (PubChem CID 171474625) has the molecular formula C19H22ClN7O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
PubChem CID171474625
Molecular FormulaC19H22ClN7O2
Molecular Weight418.90 g/mol
Exact Mass418.17
IUPAC Name2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1cccc(-c2nn(C)nc2CC)c1OC
InChIInChI=1S/C19H22ClN7O2/c1-5-12-18(26-27(3)25-12)11-7-6-8-13(19(11)29-4)22-14-9-16(20)24-23-15(14)10-17(28)21-2/h6-9H,5,10H2,1-4H3,(H,21,28)(H,22,24)/i2D3
InChIKeyAJPJJBAITYGHSM-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

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Related Compounds

2-[6-chloro-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
CID 171474634
2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
CID 171474721
6-chloro-4-[3-[1-(2-fluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]pyridazine-3-carboxylic acid
CID 170439699
6-chloro-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide;4,6-dichloro-N-methylpyridazine-3-carboxamide;2-methoxy-3-(2-methyltriazol-4-yl)aniline
CID 167636599
N-[5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-2-(trideuteriomethylamino)ethyl]pyridazin-4-yl]cyclopropanecarboxamide
CID 166059686
6-chloro-4-[2-methoxy-3-(1-methylimidazo[2,1-e]pyrazol-6-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 170781741
6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 118462873
6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168873777
6-chloro-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164902866
6-chloro-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;1-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)imidazolidin-2-one;6-[3-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 159461927
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
CID 134439018
6-chloro-4-[3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-[1-(1-ethoxyethyl)pyrazol-3-yl]-2-methoxyaniline;methane
CID 162213612

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The IUPAC name of 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide (CID 171474625) is 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The canonical SMILES for 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide is [2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1cccc(-c2nn(C)nc2CC)c1OC.
What is the InChIKey of 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The InChIKey is AJPJJBAITYGHSM-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H22ClN7O2/c1-5-12-18(26-27(3)25-12)11-7-6-8-13(19(11)29-4)22-14-9-16(20)24-23-15(14)10-17(28)21-2/h6-9H,5,10H2,1-4H3,(H,21,28)(H,22,24)/i2D3.
What are the key properties of 2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
2-[6-chloro-4-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]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-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 171474625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).