4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

C21H25N9O2 — CID 164902987

IUPAC4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C(C)C)cc1Nc1cccc2c1N(C)Cc1nc(C)nn1-2
InChIInChI=1S/C21H25N9O2/c1-11(2)20(31)25-16-9-14(18(27-26-16)21(32)22-4)24-13-7-6-8-15-19(13)29(5)10-17-23-12(3)28-30(15)17/h6-9,11H,10H2,1-5H3,(H,22,32)(H2,24,25,26,31)/i4D3
InChIKeyOWPJOQUJXZYOOJ-GKOSEXJESA-N
MW438.51 g/mol
LogP2.01
Rot. Bonds6

About 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 164902987) has the molecular formula C21H25N9O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID164902987
Molecular FormulaC21H25N9O2
Molecular Weight438.51 g/mol
Exact Mass438.23
IUPAC Name4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C(C)C)cc1Nc1cccc2c1N(C)Cc1nc(C)nn1-2
InChIInChI=1S/C21H25N9O2/c1-11(2)20(31)25-16-9-14(18(27-26-16)21(32)22-4)24-13-7-6-8-15-19(13)29(5)10-17-23-12(3)28-30(15)17/h6-9,11H,10H2,1-5H3,(H,22,32)(H2,24,25,26,31)/i4D3
InChIKeyOWPJOQUJXZYOOJ-GKOSEXJESA-N
XLogP2.01
TPSA129.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175978022
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-2,6-dimethylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902722
6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide
CID 174212169
N-[4-[(2,6-dimethyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzodiazepin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600322
6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166510214
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902747
6-(1-carbamoylcyclopropyl)-4-[(2,5-dimethyl-4H-pyrazolo[1,5-a]quinoxalin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 175525775
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 166584893
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902794
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216
6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172615912

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 164902987) is 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C(C)C)cc1Nc1cccc2c1N(C)Cc1nc(C)nn1-2.
What is the InChIKey of 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is OWPJOQUJXZYOOJ-GKOSEXJESA-N. The full InChI is InChI=1S/C21H25N9O2/c1-11(2)20(31)25-16-9-14(18(27-26-16)21(32)22-4)24-13-7-6-8-15-19(13)29(5)10-17-23-12(3)28-30(15)17/h6-9,11H,10H2,1-5H3,(H,22,32)(H2,24,25,26,31)/i4D3.
What are the key properties of 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 164902987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).