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

C27H33N9O3 — CID 168972247

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

5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972247) has the molecular formula C27H33N9O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is 5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168972247
• Molecular Formula: C27H33N9O3
• Molecular Weight: 531.62 g/mol
• Exact Mass: 531.27
• IUPAC Name: 5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• SMILES: CN1CCN(c2nc3nc(N4CCC(C)(O)CC4)c(C(=O)Nc4cccc(-c5cnn(C)c5)n4)cc3o2)CC1
• InChI: InChI=1S/C27H33N9O3/c1-27(38)7-9-35(10-8-27)24-19(15-21-23(31-24)32-26(39-21)36-13-11-33(2)12-14-36)25(37)30-22-6-4-5-20(29-22)18-16-28-34(3)17-18/h4-6,15-17,38H,7-14H2,1-3H3,(H,29,30,37)
• InChIKey: LQRXEVRQWFKTJK-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 128.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.62
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972247) is 5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is CN1CCN(c2nc3nc(N4CCC(C)(O)CC4)c(C(=O)Nc4cccc(-c5cnn(C)c5)n4)cc3o2)CC1.

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

The InChIKey is LQRXEVRQWFKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O3/c1-27(38)7-9-35(10-8-27)24-19(15-21-23(31-24)32-26(39-21)36-13-11-33(2)12-14-36)25(37)30-22-6-4-5-20(29-22)18-16-28-34(3)17-18/h4-6,15-17,38H,7-14H2,1-3H3,(H,29,30,37).

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

5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 531.62 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168972247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).