4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C21H21FN8O2 — CID 171437094

About 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171437094) has the molecular formula C21H21FN8O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• PubChem CID: 171437094
• Molecular Formula: C21H21FN8O2
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.20
• IUPAC Name: 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ncc2cnn(CC)c2c1OC
• InChI: InChI=1S/C21H21FN8O2/c1-4-30-18-12(9-27-30)8-26-20(19(18)32-3)28-15-7-17(25-11-14(15)21(31)23-2)29-16-6-5-13(22)10-24-16/h5-11H,4H2,1-3H3,(H,23,31)(H2,24,25,26,28,29)/i2D3
• InChIKey: GDDBLTTYYCNVME-BMSJAHLVSA-N
• XLogP: 3.24
• TPSA: 118.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The IUPAC name of 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171437094) is 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The canonical SMILES for 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ncc2cnn(CC)c2c1OC.

What is the InChIKey of 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The InChIKey is GDDBLTTYYCNVME-BMSJAHLVSA-N. The full InChI is InChI=1S/C21H21FN8O2/c1-4-30-18-12(9-27-30)8-26-20(19(18)32-3)28-15-7-17(25-11-14(15)21(31)23-2)29-16-6-5-13(22)10-24-16/h5-11H,4H2,1-3H3,(H,23,31)(H2,24,25,26,28,29)/i2D3.

What are the key properties of 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171437094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).