6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H22N8O5 — CID 160507017

IUPAC6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc(COC)n2)c1OC
InChIInChI=1S/C20H22N8O5/c1-21-20(30)15-12(8-13(26-27-15)24-19(29)10-4-5-10)23-18-16(32-3)11(6-7-22-18)17-25-14(9-31-2)33-28-17/h6-8,10H,4-5,9H2,1-3H3,(H,21,30)(H2,22,23,24,26,29)/i1D3
InChIKeyQSNWRPLYHKRACK-FIBGUPNXSA-N
MW457.47 g/mol
LogP1.53
Rot. Bonds10

About 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 160507017) has the molecular formula C20H22N8O5 and a molecular weight of 457.47 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID160507017
Molecular FormulaC20H22N8O5
Molecular Weight457.47 g/mol
Exact Mass457.19
IUPAC Name6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc(COC)n2)c1OC
InChIInChI=1S/C20H22N8O5/c1-21-20(30)15-12(8-13(26-27-15)24-19(29)10-4-5-10)23-18-16(32-3)11(6-7-22-18)17-25-14(9-31-2)33-28-17/h6-8,10H,4-5,9H2,1-3H3,(H,21,30)(H2,22,23,24,26,29)/i1D3
InChIKeyQSNWRPLYHKRACK-FIBGUPNXSA-N
XLogP1.53
TPSA166.28 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 160507017) is 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1nccc(-c2noc(COC)n2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is QSNWRPLYHKRACK-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H22N8O5/c1-21-20(30)15-12(8-13(26-27-15)24-19(29)10-4-5-10)23-18-16(32-3)11(6-7-22-18)17-25-14(9-31-2)33-28-17/h6-8,10H,4-5,9H2,1-3H3,(H,21,30)(H2,22,23,24,26,29)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 1.53, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 160507017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).