6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H24N8O3S — CID 150987606

IUPAC6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C20H24N8O3S/c1-20(2,21)12-7-8-15(24-11-12)26-16-10-13(17(28-27-16)19(29)22-3)25-18-14(32(4,30)31)6-5-9-23-18/h5-11H,21H2,1-4H3,(H,22,29)(H2,23,24,25,26,27)/i3D3
InChIKeyLRKMAFFSMTYLST-HPRDVNIFSA-N
MW459.55 g/mol
LogP1.71
Rot. Bonds8

About 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 150987606) has the molecular formula C20H24N8O3S and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID150987606
Molecular FormulaC20H24N8O3S
Molecular Weight459.55 g/mol
Exact Mass459.19
IUPAC Name6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C20H24N8O3S/c1-20(2,21)12-7-8-15(24-11-12)26-16-10-13(17(28-27-16)19(29)22-3)25-18-14(32(4,30)31)6-5-9-23-18/h5-11H,21H2,1-4H3,(H,22,29)(H2,23,24,25,26,27)/i3D3
InChIKeyLRKMAFFSMTYLST-HPRDVNIFSA-N
XLogP1.71
TPSA164.88 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
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CID 71547342
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733359
Tyk2-IN-7
CID 138911330
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
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CID 170678247
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CID 75201718
N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201851
8-[4-[2-[methyl-[(4-methylsulfonylphenyl)methyl]amino]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175000
8-[4-[2-[4-(4-methylsulfonylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175260
US11021475, Example 4
CID 75201911

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 150987606) is 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is LRKMAFFSMTYLST-HPRDVNIFSA-N. The full InChI is InChI=1S/C20H24N8O3S/c1-20(2,21)12-7-8-15(24-11-12)26-16-10-13(17(28-27-16)19(29)22-3)25-18-14(32(4,30)31)6-5-9-23-18/h5-11H,21H2,1-4H3,(H,22,29)(H2,23,24,25,26,27)/i3D3.
What are the key properties of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 1.71, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 150987606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).