[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C21H26N6O2 — CID 154823721

About [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 154823721) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 154823721
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: Cc1ccc2oc(N3CCC(C(=O)N4CCC(c5ccn[nH]5)CC4)CC3)nc2n1
• InChI: InChI=1S/C21H26N6O2/c1-14-2-3-18-19(23-14)24-21(29-18)27-12-7-16(8-13-27)20(28)26-10-5-15(6-11-26)17-4-9-22-25-17/h2-4,9,15-16H,5-8,10-13H2,1H3,(H,22,25)
• InChIKey: BLVFHQPZCLGNHK-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 91.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 154823721) is [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1ccc2oc(N3CCC(C(=O)N4CCC(c5ccn[nH]5)CC4)CC3)nc2n1.

What is the InChIKey of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is BLVFHQPZCLGNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-2-3-18-19(23-14)24-21(29-18)27-12-7-16(8-13-27)20(28)26-10-5-15(6-11-26)17-4-9-22-25-17/h2-4,9,15-16H,5-8,10-13H2,1H3,(H,22,25).

What are the key properties of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?

[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154823721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).