N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C27H31N7O5 — CID 162642971

About N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 162642971) has the molecular formula C27H31N7O5 and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 162642971
• Molecular Formula: C27H31N7O5
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.24
• IUPAC Name: N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• SMILES: CCC1(O)CCCN(c2nc3nc(N4CCOCC4)oc3cc2NC(=O)c2coc(-c3ccnc(C)c3)n2)C1
• InChI: InChI=1S/C27H31N7O5/c1-3-27(36)6-4-8-34(16-27)23-19(14-21-22(31-23)32-26(39-21)33-9-11-37-12-10-33)29-24(35)20-15-38-25(30-20)18-5-7-28-17(2)13-18/h5,7,13-15,36H,3-4,6,8-12,16H2,1-2H3,(H,29,35)
• InChIKey: QXLAWCPTQRLVMN-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 142.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 162642971) is N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is CCC1(O)CCCN(c2nc3nc(N4CCOCC4)oc3cc2NC(=O)c2coc(-c3ccnc(C)c3)n2)C1.

What is the InChIKey of N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The InChIKey is QXLAWCPTQRLVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O5/c1-3-27(36)6-4-8-34(16-27)23-19(14-21-22(31-23)32-26(39-21)33-9-11-37-12-10-33)29-24(35)20-15-38-25(30-20)18-5-7-28-17(2)13-18/h5,7,13-15,36H,3-4,6,8-12,16H2,1-2H3,(H,29,35).

What are the key properties of N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 162642971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).