5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

C26H31N9O3 — CID 168972050

About 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972050) has the molecular formula C26H31N9O3 and a molecular weight of 517.59 g/mol. Its IUPAC name is 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168972050
• Molecular Formula: C26H31N9O3
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.25
• IUPAC Name: 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• SMILES: Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCNCC5)nc4nc3N3CCC(C)(O)CC3)n2)cn1
• InChI: InChI=1S/C26H31N9O3/c1-26(37)6-10-34(11-7-26)23-18(14-20-22(31-23)32-25(38-20)35-12-8-27-9-13-35)24(36)30-21-5-3-4-19(29-21)17-15-28-33(2)16-17/h3-5,14-16,27,37H,6-13H2,1-2H3,(H,29,30,36)
• InChIKey: ZQXQACQKPDBDHD-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 137.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972050) is 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is Cn1cc(-c2cccc(NC(=O)c3cc4oc(N5CCNCC5)nc4nc3N3CCC(C)(O)CC3)n2)cn1.

What is the InChIKey of 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The InChIKey is ZQXQACQKPDBDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O3/c1-26(37)6-10-34(11-7-26)23-18(14-20-22(31-23)32-25(38-20)35-12-8-27-9-13-35)24(36)30-21-5-3-4-19(29-21)17-15-28-33(2)16-17/h3-5,14-16,27,37H,6-13H2,1-2H3,(H,29,30,36).

What are the key properties of 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-hydroxy-4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-piperazin-1-yl-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168972050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).