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

C25H29N7O5 — CID 118224416

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

N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide (PubChem CID 118224416) has the molecular formula C25H29N7O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide
• PubChem CID: 118224416
• Molecular Formula: C25H29N7O5
• Molecular Weight: 507.55 g/mol
• Exact Mass: 507.22
• IUPAC Name: N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide
• SMILES: Cc1cc(C2(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCC(O)CC3)NC=CO2)ccn1
• InChI: InChI=1S/C25H29N7O5/c1-16-14-17(2-5-26-16)25(27-6-11-36-25)23(34)28-19-15-20-21(29-22(19)31-7-3-18(33)4-8-31)30-24(37-20)32-9-12-35-13-10-32/h2,5-6,11,14-15,18,27,33H,3-4,7-10,12-13H2,1H3,(H,28,34)
• InChIKey: RUZIOETUFJVYFC-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 138.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide (CID 118224416) is N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide.

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

The canonical SMILES for N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide is Cc1cc(C2(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCC(O)CC3)NC=CO2)ccn1.

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

The InChIKey is RUZIOETUFJVYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O5/c1-16-14-17(2-5-26-16)25(27-6-11-36-25)23(34)28-19-15-20-21(29-22(19)31-7-3-18(33)4-8-31)30-24(37-20)32-9-12-35-13-10-32/h2,5-6,11,14-15,18,27,33H,3-4,7-10,12-13H2,1H3,(H,28,34).

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

N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-3H-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 118224416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).