4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C20H19N9O2 — CID 171436785

About 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171436785) has the molecular formula C20H19N9O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• PubChem CID: 171436785
• Molecular Formula: C20H19N9O2
• Molecular Weight: 420.45 g/mol
• Exact Mass: 420.19
• IUPAC Name: 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccn(C)n2)cc1Nc1ccn2ncc(C#N)c2c1OC
• InChI: InChI=1S/C20H19N9O2/c1-22-20(30)13-11-23-17(26-16-5-6-28(2)27-16)8-15(13)25-14-4-7-29-18(19(14)31-3)12(9-21)10-24-29/h4-8,10-11H,1-3H3,(H,22,30)(H2,23,25,26,27)/i1D3
• InChIKey: SAHZOQDVJBABHI-FIBGUPNXSA-N
• XLogP: 2.19
• TPSA: 134.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.45
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The IUPAC name of 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171436785) is 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The canonical SMILES for 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccn(C)n2)cc1Nc1ccn2ncc(C#N)c2c1OC.

What is the InChIKey of 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

The InChIKey is SAHZOQDVJBABHI-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H19N9O2/c1-22-20(30)13-11-23-17(26-16-5-6-28(2)27-16)8-15(13)25-14-4-7-29-18(19(14)31-3)12(9-21)10-24-29/h4-8,10-11H,1-3H3,(H,22,30)(H2,23,25,26,27)/i1D3.

What are the key properties of 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?

4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171436785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).