1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C22H25N5O2 — CID 92615995

About 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 92615995) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
• PubChem CID: 92615995
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
• SMILES: Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1
• InChI: InChI=1S/C22H25N5O2/c1-14-19(15(2)29-26-14)10-22(28)27-9-3-4-18(13-27)20-7-5-16(11-24-20)17-6-8-21(23)25-12-17/h5-8,11-12,18H,3-4,9-10,13H2,1-2H3,(H2,23,25)/t18-/m0/s1
• InChIKey: GOZYWSXVPZDZEJ-SFHVURJKSA-N
• XLogP: 3.28
• TPSA: 98.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?

The IUPAC name of 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 92615995) is 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

What is the SMILES notation for 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?

The canonical SMILES for 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1.

What is the InChIKey of 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?

The InChIKey is GOZYWSXVPZDZEJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-19(15(2)29-26-14)10-22(28)27-9-3-4-18(13-27)20-7-5-16(11-24-20)17-6-8-21(23)25-12-17/h5-8,11-12,18H,3-4,9-10,13H2,1-2H3,(H2,23,25)/t18-/m0/s1.

What are the key properties of 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?

1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 391.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 92615995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).