4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C16H17N9O — CID 175977984

IUPAC4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1nccc2c1N(C)C([2H])([2H])c1nn(C)nc1-2
InChIInChI=1S/C16H17N9O/c1-17-16(26)13-10(5-7-19-21-13)20-15-14-9(4-6-18-15)12-11(8-24(14)2)22-25(3)23-12/h4-7H,8H2,1-3H3,(H,17,26)(H,18,19,20)/i1D3,8D2
InChIKeyYJUZUDLULURITH-QBMBECACSA-N
MW356.40 g/mol
LogP0.72
Rot. Bonds4

About 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175977984) has the molecular formula C16H17N9O and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID175977984
Molecular FormulaC16H17N9O
Molecular Weight356.40 g/mol
Exact Mass356.19
IUPAC Name4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1nccc2c1N(C)C([2H])([2H])c1nn(C)nc1-2
InChIInChI=1S/C16H17N9O/c1-17-16(26)13-10(5-7-19-21-13)20-15-14-9(4-6-18-15)12-11(8-24(14)2)22-25(3)23-12/h4-7H,8H2,1-3H3,(H,17,26)(H,18,19,20)/i1D3,8D2
InChIKeyYJUZUDLULURITH-QBMBECACSA-N
XLogP0.72
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]pyridazine-3-carboxamide
CID 175978064
4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963348
4-[(6-methyl-5H-pyrimido[5,4-c]quinolin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963342
4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963350
6-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-N-(trideuteriomethyl)-4-[[(4R)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]pyridazine-3-carboxamide
CID 172615725
4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175978022
4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175976109
6-(cyclopropanecarbonylamino)-4-[[(4S)-2,4,5,9-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044531
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-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
N-[4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c]quinolin-6-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600229
N-methyl-4-[5-methyl-3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide
CID 175957118

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175977984) is 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnccc1Nc1nccc2c1N(C)C([2H])([2H])c1nn(C)nc1-2.
What is the InChIKey of 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is YJUZUDLULURITH-QBMBECACSA-N. The full InChI is InChI=1S/C16H17N9O/c1-17-16(26)13-10(5-7-19-21-13)20-15-14-9(4-6-18-15)12-11(8-24(14)2)22-25(3)23-12/h4-7H,8H2,1-3H3,(H,17,26)(H,18,19,20)/i1D3,8D2.
What are the key properties of 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175977984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).