6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C22H26FN7O2 — CID 118206812

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206812) has the molecular formula C22H26FN7O2 and a molecular weight of 442.51 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118206812
• Molecular Formula: C22H26FN7O2
• Molecular Weight: 442.51 g/mol
• Exact Mass: 442.23
• IUPAC Name: 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])OC(C)(C)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C
• InChI: InChI=1S/C22H26FN7O2/c1-13(2)29-17-7-19(30-20-15(10-28-30)6-14(8-24)9-26-20)25-11-16(17)21(31)27-12-18(23)22(3,4)32-5/h6-7,9-11,13,18H,12H2,1-5H3,(H,25,29)(H,27,31)/t18-/m1/s1/i5D3
• InChIKey: BEKGOYBQXNJWKO-VVXJCHQESA-N
• XLogP: 3.00
• TPSA: 117.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.51
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206812) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is [2H]C([2H])([2H])OC(C)(C)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C.

What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is BEKGOYBQXNJWKO-VVXJCHQESA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-13(2)29-17-7-19(30-20-15(10-28-30)6-14(8-24)9-26-20)25-11-16(17)21(31)27-12-18(23)22(3,4)32-5/h6-7,9-11,13,18H,12H2,1-5H3,(H,25,29)(H,27,31)/t18-/m1/s1/i5D3.

What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-methyl-3-(trideuteriomethoxy)butyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).