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

C19H22N6O4S — CID 171456826

IUPAC6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncc(C2CC2)cc1S(C)(=O)=O
InChIInChI=1S/C19H22N6O4S/c1-20-19(27)16-13(8-15(24-25-16)23-18(26)11-5-6-11)22-17-14(30(2,28)29)7-12(9-21-17)10-3-4-10/h7-11H,3-6H2,1-2H3,(H,20,27)(H2,21,22,23,24,26)/i1D3
InChIKeyACGHLVINNRQZLB-FIBGUPNXSA-N
MW433.51 g/mol
LogP1.60
Rot. Bonds8

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

6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 171456826) has the molecular formula C19H22N6O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID171456826
Molecular FormulaC19H22N6O4S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncc(C2CC2)cc1S(C)(=O)=O
InChIInChI=1S/C19H22N6O4S/c1-20-19(27)16-13(8-15(24-25-16)23-18(26)11-5-6-11)22-17-14(30(2,28)29)7-12(9-21-17)10-3-4-10/h7-11H,3-6H2,1-2H3,(H,20,27)(H2,21,22,23,24,26)/i1D3
InChIKeyACGHLVINNRQZLB-FIBGUPNXSA-N
XLogP1.60
TPSA143.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 171456826) is 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncc(C2CC2)cc1S(C)(=O)=O.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is ACGHLVINNRQZLB-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-20-19(27)16-13(8-15(24-25-16)23-18(26)11-5-6-11)22-17-14(30(2,28)29)7-12(9-21-17)10-3-4-10/h7-11H,3-6H2,1-2H3,(H,20,27)(H2,21,22,23,24,26)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(5-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 171456826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).