5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

C24H27N9O4 — CID 168972159

About 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide

5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 168972159) has the molecular formula C24H27N9O4 and a molecular weight of 505.54 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168972159
• Molecular Formula: C24H27N9O4
• Molecular Weight: 505.54 g/mol
• Exact Mass: 505.22
• IUPAC Name: 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide
• SMILES: COC1CCN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1
• InChI: InChI=1S/C24H27N9O4/c1-35-17-5-7-32(8-6-17)22-18(14-19-21(26-22)27-24(37-19)33-9-11-36-12-10-33)23(34)25-16-4-2-3-15(13-16)20-28-30-31-29-20/h2-4,13-14,17H,5-12H2,1H3,(H,25,34)(H,28,29,30,31)
• InChIKey: INALHAXRWPKRMZ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 147.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.54
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide (CID 168972159) is 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is COC1CCN(c2nc3nc(N4CCOCC4)oc3cc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1.

What is the InChIKey of 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

The InChIKey is INALHAXRWPKRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O4/c1-35-17-5-7-32(8-6-17)22-18(14-19-21(26-22)27-24(37-19)33-9-11-36-12-10-33)23(34)25-16-4-2-3-15(13-16)20-28-30-31-29-20/h2-4,13-14,17H,5-12H2,1H3,(H,25,34)(H,28,29,30,31).

What are the key properties of 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide?

5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxypiperidin-1-yl)-2-morpholin-4-yl-N-[3-(2H-tetrazol-5-yl)phenyl]-[1,3]oxazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).