6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C20H19FN10O2 — CID 161095047

IUPAC6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(F)ccn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C20H19FN10O2/c1-22-20(32)16-13(9-15(28-29-16)27-14-8-11(21)4-6-23-14)26-19-17(33-3)12(5-7-24-19)18-25-10-31(2)30-18/h4-10H,1-3H3,(H,22,32)(H2,23,24,26,27,28)/i1D3
InChIKeyUHRJRMHQKVCJDR-FIBGUPNXSA-N
MW453.46 g/mol
LogP2.06
Rot. Bonds8

About 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 161095047) has the molecular formula C20H19FN10O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID161095047
Molecular FormulaC20H19FN10O2
Molecular Weight453.46 g/mol
Exact Mass453.19
IUPAC Name6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(F)ccn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C20H19FN10O2/c1-22-20(32)16-13(9-15(28-29-16)27-14-8-11(21)4-6-23-14)26-19-17(33-3)12(5-7-24-19)18-25-10-31(2)30-18/h4-10H,1-3H3,(H,22,32)(H2,23,24,26,27,28)/i1D3
InChIKeyUHRJRMHQKVCJDR-FIBGUPNXSA-N
XLogP2.06
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[(4,5-difluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158595445
6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160676484
6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161345578
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-6-[(6-methoxy-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161336203
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158922092
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridazine-3-carboxamide
CID 162001262
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168736606
4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-6-[(6-methylpyrimidin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161470901
6-[[ethyl(methyl)carbamoyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822304
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(pyridin-2-ylsulfonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021012
6-[[5-(3-hydroxyazetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 162426073
4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028782

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 161095047) is 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(F)ccn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is UHRJRMHQKVCJDR-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H19FN10O2/c1-22-20(32)16-13(9-15(28-29-16)27-14-8-11(21)4-6-23-14)26-19-17(33-3)12(5-7-24-19)18-25-10-31(2)30-18/h4-10H,1-3H3,(H,22,32)(H2,23,24,26,27,28)/i1D3.
What are the key properties of 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 453.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 161095047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).