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

C19H20N8O3S — CID 150012229

IUPAC6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3CC3)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C19H20N8O3S/c1-20-19(28)17-13(22-18-14(31(2,29)30)4-3-9-21-18)10-16(26-27-17)23-15-8-7-12(24-25-15)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,22,23,25,26)/i1D3
InChIKeyDDNFMWRLJKLXMQ-FIBGUPNXSA-N
MW443.51 g/mol
LogP1.79
Rot. Bonds8

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

6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 150012229) has the molecular formula C19H20N8O3S and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID150012229
Molecular FormulaC19H20N8O3S
Molecular Weight443.51 g/mol
Exact Mass443.16
IUPAC Name6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3CC3)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C19H20N8O3S/c1-20-19(28)17-13(22-18-14(31(2,29)30)4-3-9-21-18)10-16(26-27-17)23-15-8-7-12(24-25-15)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,22,23,25,26)/i1D3
InChIKeyDDNFMWRLJKLXMQ-FIBGUPNXSA-N
XLogP1.79
TPSA151.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 150012229) is 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3CC3)nn2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is DDNFMWRLJKLXMQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H20N8O3S/c1-20-19(28)17-13(22-18-14(31(2,29)30)4-3-9-21-18)10-16(26-27-17)23-15-8-7-12(24-25-15)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,22,23,25,26)/i1D3.
What are the key properties of 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 150012229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).