3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione

C24H27N5O4S — CID 177175048

About 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione

3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione (PubChem CID 177175048) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
• PubChem CID: 177175048
• Molecular Formula: C24H27N5O4S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.18
• IUPAC Name: 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3nc(C4(O)CCN(Cc5nc6c(s5)CCC6)CC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C24H27N5O4S/c30-20-7-5-17(22(31)27-20)29-12-16-14(23(29)32)4-6-19(25-16)24(33)8-10-28(11-9-24)13-21-26-15-2-1-3-18(15)34-21/h4,6,17,33H,1-3,5,7-13H2,(H,27,30,31)
• InChIKey: BXXWODVILMAMQX-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 115.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?

The IUPAC name of 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione (CID 177175048) is 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3nc(C4(O)CCN(Cc5nc6c(s5)CCC6)CC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?

The InChIKey is BXXWODVILMAMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c30-20-7-5-17(22(31)27-20)29-12-16-14(23(29)32)4-6-19(25-16)24(33)8-10-28(11-9-24)13-21-26-15-2-1-3-18(15)34-21/h4,6,17,33H,1-3,5,7-13H2,(H,27,30,31).

What are the key properties of 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione?

3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione has a molecular weight of 481.58 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 177175048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).