(2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide

C26H30N8O3 — CID 167153172

About (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide

(2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide (PubChem CID 167153172) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide
• PubChem CID: 167153172
• Molecular Formula: C26H30N8O3
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.24
• IUPAC Name: (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide
• SMILES: Cc1cncc(-c2nc(NCc3cc(C)ccn3)c3ncn([C@@H]4O[C@H](C(=O)NC(C)C)C[C@H]4O)c3n2)c1
• InChI: InChI=1S/C26H30N8O3/c1-14(2)31-25(36)20-9-19(35)26(37-20)34-13-30-21-23(29-12-18-8-15(3)5-6-28-18)32-22(33-24(21)34)17-7-16(4)10-27-11-17/h5-8,10-11,13-14,19-20,26,35H,9,12H2,1-4H3,(H,31,36)(H,29,32,33)/t19-,20+,26-/m1/s1
• InChIKey: LRDXGAYLWINAQF-BVFVYWQFSA-N
• XLogP: 2.69
• TPSA: 139.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide?

The IUPAC name of (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide (CID 167153172) is (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide.

What is the SMILES notation for (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide?

The canonical SMILES for (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide is Cc1cncc(-c2nc(NCc3cc(C)ccn3)c3ncn([C@@H]4O[C@H](C(=O)NC(C)C)C[C@H]4O)c3n2)c1.

What is the InChIKey of (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide?

The InChIKey is LRDXGAYLWINAQF-BVFVYWQFSA-N. The full InChI is InChI=1S/C26H30N8O3/c1-14(2)31-25(36)20-9-19(35)26(37-20)34-13-30-21-23(29-12-18-8-15(3)5-6-28-18)32-22(33-24(21)34)17-7-16(4)10-27-11-17/h5-8,10-11,13-14,19-20,26,35H,9,12H2,1-4H3,(H,31,36)(H,29,32,33)/t19-,20+,26-/m1/s1.

What are the key properties of (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide?

(2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 502.58 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R,5R)-4-hydroxy-5-[2-(5-methyl-3-pyridinyl)-6-[(4-methyl-2-pyridinyl)methylamino]purin-9-yl]-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 167153172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).