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

C20H24N8OS — CID 138620561

IUPAC6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1ncccc1SC
InChIInChI=1S/C20H24N8OS/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(30-4)6-5-9-23-18/h5-11H,21H2,1-4H3,(H,22,29)(H2,23,24,25,26,27)/i3D3
InChIKeyKTYBYQLRTNBXFD-HPRDVNIFSA-N
MW427.55 g/mol
LogP3.03
Rot. Bonds8

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

6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 138620561) has the molecular formula C20H24N8OS and a molecular weight of 427.55 g/mol. Its IUPAC name is 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID138620561
Molecular FormulaC20H24N8OS
Molecular Weight427.55 g/mol
Exact Mass427.20
IUPAC Name6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1ncccc1SC
InChIInChI=1S/C20H24N8OS/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(30-4)6-5-9-23-18/h5-11H,21H2,1-4H3,(H,22,29)(H2,23,24,25,26,27)/i3D3
InChIKeyKTYBYQLRTNBXFD-HPRDVNIFSA-N
XLogP3.03
TPSA130.74 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 138620561) is 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-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-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1ncccc1SC.
What is the InChIKey of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is KTYBYQLRTNBXFD-HPRDVNIFSA-N. The full InChI is InChI=1S/C20H24N8OS/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(30-4)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-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.03, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 138620561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).