5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C26H32N4O4 — CID 70938095

About 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 70938095) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 70938095
• Molecular Formula: C26H32N4O4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.24
• IUPAC Name: 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
• SMILES: COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CC(O)CN1CCCCC1)CC3)C(=O)N2
• InChI: InChI=1S/C26H32N4O4/c1-16-23(13-20-19-12-18(34-2)6-7-21(19)28-25(20)32)27-22-8-11-30(26(33)24(16)22)15-17(31)14-29-9-4-3-5-10-29/h6-7,12-13,17,27,31H,3-5,8-11,14-15H2,1-2H3,(H,28,32)/b20-13-
• InChIKey: UNWUYWZQTXPZBN-MOSHPQCFSA-N
• XLogP: 2.67
• TPSA: 97.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 70938095) is 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CC(O)CN1CCCCC1)CC3)C(=O)N2.

What is the InChIKey of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The InChIKey is UNWUYWZQTXPZBN-MOSHPQCFSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-16-23(13-20-19-12-18(34-2)6-7-21(19)28-25(20)32)27-22-8-11-30(26(33)24(16)22)15-17(31)14-29-9-4-3-5-10-29/h6-7,12-13,17,27,31H,3-5,8-11,14-15H2,1-2H3,(H,28,32)/b20-13-.

What are the key properties of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 464.57 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 70938095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).