2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide

C18H19ClN8O2 — CID 171474721

IUPAC2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1ccnc(-c2cnn(C3CC3)n2)c1OC
InChIInChI=1S/C18H19ClN8O2/c1-20-16(28)8-13-12(7-15(19)25-24-13)23-11-5-6-21-17(18(11)29-2)14-9-22-27(26-14)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,28)(H,21,23,25)/i1D3
InChIKeyOCJLPFOQAOQJAC-FIBGUPNXSA-N
MW417.88 g/mol
LogP2.16
Rot. Bonds8

About 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide

2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide (PubChem CID 171474721) has the molecular formula C18H19ClN8O2 and a molecular weight of 417.88 g/mol. Its IUPAC name is 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
PubChem CID171474721
Molecular FormulaC18H19ClN8O2
Molecular Weight417.88 g/mol
Exact Mass417.15
IUPAC Name2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1ccnc(-c2cnn(C3CC3)n2)c1OC
InChIInChI=1S/C18H19ClN8O2/c1-20-16(28)8-13-12(7-15(19)25-24-13)23-11-5-6-21-17(18(11)29-2)14-9-22-27(26-14)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,28)(H,21,23,25)/i1D3
InChIKeyOCJLPFOQAOQJAC-FIBGUPNXSA-N
XLogP2.16
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-[3-(5-ethyl-2-methyltriazol-4-yl)-2-methoxyanilino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide
CID 171474625
6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
CID 167590940
6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-5-fluoro-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822314
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-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
5-(2-cyclopropyltriazol-4-yl)-4-methoxypyridin-3-amine
CID 170566565
6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168873777
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[3-(2-cyclopropyltriazol-4-yl)-2-methylanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 167621694
6-chloro-4-[2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170966081
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584963
3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid
CID 170556958

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The IUPAC name of 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide (CID 171474721) is 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The canonical SMILES for 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide is [2H]C([2H])([2H])NC(=O)Cc1nnc(Cl)cc1Nc1ccnc(-c2cnn(C3CC3)n2)c1OC.
What is the InChIKey of 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
The InChIKey is OCJLPFOQAOQJAC-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H19ClN8O2/c1-20-16(28)8-13-12(7-15(19)25-24-13)23-11-5-6-21-17(18(11)29-2)14-9-22-27(26-14)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,28)(H,21,23,25)/i1D3.
What are the key properties of 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide?
2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide has a molecular weight of 417.88 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-[[2-(2-cyclopropyltriazol-4-yl)-3-methoxy-4-pyridinyl]amino]pyridazin-3-yl]-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 171474721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).