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

C26H28N6O5 — CID 175460587

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

N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide (PubChem CID 175460587) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide
• PubChem CID: 175460587
• Molecular Formula: C26H28N6O5
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide
• SMILES: Cc1cc(-c2ccc(C(=O)Nc3cc4oc(C5CNCCO5)nc4nc3N3CCCC(O)C3)o2)ccn1
• InChI: InChI=1S/C26H28N6O5/c1-15-11-16(6-7-28-15)19-4-5-20(36-19)25(34)29-18-12-21-23(30-24(18)32-9-2-3-17(33)14-32)31-26(37-21)22-13-27-8-10-35-22/h4-7,11-12,17,22,27,33H,2-3,8-10,13-14H2,1H3,(H,29,34)
• InChIKey: KJKPUZUGCIUURK-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 138.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide (CID 175460587) is N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide.

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

The canonical SMILES for N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide is Cc1cc(-c2ccc(C(=O)Nc3cc4oc(C5CNCCO5)nc4nc3N3CCCC(O)C3)o2)ccn1.

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

The InChIKey is KJKPUZUGCIUURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-15-11-16(6-7-28-15)19-4-5-20(36-19)25(34)29-18-12-21-23(30-24(18)32-9-2-3-17(33)14-32)31-26(37-21)22-13-27-8-10-35-22/h4-7,11-12,17,22,27,33H,2-3,8-10,13-14H2,1H3,(H,29,34).

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

N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-5-(2-methyl-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 175460587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).