4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C21H19FN10O3 — CID 158382327

IUPAC4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C21H19FN10O3/c1-23-21(33)17-13(8-15(30-32-17)28-14-4-5-16(34-2)31-29-14)27-20-18(35-3)12(6-7-24-20)19-25-9-11(22)10-26-19/h4-10H,1-3H3,(H,23,33)(H2,24,27,28,29,30)/i1D3
InChIKeyGVYHJFDXNZQFTO-FIBGUPNXSA-N
MW481.47 g/mol
LogP2.12
Rot. Bonds9

About 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 158382327) has the molecular formula C21H19FN10O3 and a molecular weight of 481.47 g/mol. Its IUPAC name is 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID158382327
Molecular FormulaC21H19FN10O3
Molecular Weight481.47 g/mol
Exact Mass481.18
IUPAC Name4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C21H19FN10O3/c1-23-21(33)17-13(8-15(30-32-17)28-14-4-5-16(34-2)31-29-14)27-20-18(35-3)12(6-7-24-20)19-25-9-11(22)10-26-19/h4-10H,1-3H3,(H,23,33)(H2,24,27,28,29,30)/i1D3
InChIKeyGVYHJFDXNZQFTO-FIBGUPNXSA-N
XLogP2.12
TPSA161.85 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 158382327) is 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(OC)nn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is GVYHJFDXNZQFTO-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H19FN10O3/c1-23-21(33)17-13(8-15(30-32-17)28-14-4-5-16(34-2)31-29-14)27-20-18(35-3)12(6-7-24-20)19-25-9-11(22)10-26-19/h4-10H,1-3H3,(H,23,33)(H2,24,27,28,29,30)/i1D3.
What are the key properties of 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 481.47 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-[(6-methoxypyridazin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 158382327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).