3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one

C34H31N5O5 — CID 123589385

About 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one

3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 123589385) has the molecular formula C34H31N5O5 and a molecular weight of 589.65 g/mol. Its IUPAC name is 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 123589385
• Molecular Formula: C34H31N5O5
• Molecular Weight: 589.65 g/mol
• Exact Mass: 589.23
• IUPAC Name: 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN1CCC(O)(C#Cc2cccc(-c3ccn4c(C(N)O)nc(-c5cccc(C#CC6(O)CCN(C)C6=O)c5)c4c3)c2)C1=O
• InChI: InChI=1S/C34H31N5O5/c1-37-17-14-33(43,31(37)41)12-9-22-5-3-7-24(19-22)25-11-16-39-27(21-25)28(36-30(39)29(35)40)26-8-4-6-23(20-26)10-13-34(44)15-18-38(2)32(34)42/h3-8,11,16,19-21,29,40,43-44H,14-15,17-18,35H2,1-2H3
• InChIKey: DCKUDGUMFWAJQM-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 144.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.65
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?

The IUPAC name of 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 123589385) is 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one.

What is the SMILES notation for 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?

The canonical SMILES for 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(C#Cc2cccc(-c3ccn4c(C(N)O)nc(-c5cccc(C#CC6(O)CCN(C)C6=O)c5)c4c3)c2)C1=O.

What is the InChIKey of 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?

The InChIKey is DCKUDGUMFWAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N5O5/c1-37-17-14-33(43,31(37)41)12-9-22-5-3-7-24(19-22)25-11-16-39-27(21-25)28(36-30(39)29(35)40)26-8-4-6-23(20-26)10-13-34(44)15-18-38(2)32(34)42/h3-8,11,16,19-21,29,40,43-44H,14-15,17-18,35H2,1-2H3.

What are the key properties of 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?

3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 589.65 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[3-[amino(hydroxy)methyl]-1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]imidazo[1,5-a]pyridin-7-yl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 123589385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).