4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C19H20N6O — CID 175976109

IUPAC4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnccc1Nc1cccc2c1N(C)C([2H])([2H])c1cn(C)nc1-2
InChIInChI=1S/C19H20N6O/c1-20-19(26)14-9-21-8-7-15(14)22-16-6-4-5-13-17-12(11-25(3)23-17)10-24(2)18(13)16/h4-9,11H,10H2,1-3H3,(H,20,26)(H,21,22)/i1D3,10D2
InChIKeyYNEPYVMXMXSXRK-NJFDCKJNSA-N
MW353.44 g/mol
LogP2.54
Rot. Bonds4

About 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 175976109) has the molecular formula C19H20N6O and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID175976109
Molecular FormulaC19H20N6O
Molecular Weight353.44 g/mol
Exact Mass353.20
IUPAC Name4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnccc1Nc1cccc2c1N(C)C([2H])([2H])c1cn(C)nc1-2
InChIInChI=1S/C19H20N6O/c1-20-19(26)14-9-21-8-7-15(14)22-16-6-4-5-13-17-12(11-25(3)23-17)10-24(2)18(13)16/h4-9,11H,10H2,1-3H3,(H,20,26)(H,21,22)/i1D3,10D2
InChIKeyYNEPYVMXMXSXRK-NJFDCKJNSA-N
XLogP2.54
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridine-3-carboxamide
CID 164903097
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
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-2,6-dimethylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902722
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164944176
6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164944290
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902747
2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid
CID 164944218
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
5-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 172718914
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216
N-[4-[(5,5-dideuterio-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600162

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 175976109) is 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnccc1Nc1cccc2c1N(C)C([2H])([2H])c1cn(C)nc1-2.
What is the InChIKey of 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is YNEPYVMXMXSXRK-NJFDCKJNSA-N. The full InChI is InChI=1S/C19H20N6O/c1-20-19(26)14-9-21-8-7-15(14)22-16-6-4-5-13-17-12(11-25(3)23-17)10-24(2)18(13)16/h4-9,11H,10H2,1-3H3,(H,20,26)(H,21,22)/i1D3,10D2.
What are the key properties of 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175976109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).