4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H29ClN6O3 — CID 10345264

About 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10345264) has the molecular formula C24H29ClN6O3 and a molecular weight of 484.99 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 10345264
• Molecular Formula: C24H29ClN6O3
• Molecular Weight: 484.99 g/mol
• Exact Mass: 484.20
• IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCCCN3CCCC3=O)cnc21
• InChI: InChI=1S/C24H29ClN6O3/c1-3-31-23-17(15-29-31)22(27-13-16-7-8-20(34-2)19(25)12-16)18(14-28-23)24(33)26-9-5-11-30-10-4-6-21(30)32/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3,(H,26,33)(H,27,28)
• InChIKey: GJGZBMVCZXTSIU-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.99
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 10345264) is 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCCCN3CCCC3=O)cnc21.

What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is GJGZBMVCZXTSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O3/c1-3-31-23-17(15-29-31)22(27-13-16-7-8-20(34-2)19(25)12-16)18(14-28-23)24(33)26-9-5-11-30-10-4-6-21(30)32/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3,(H,26,33)(H,27,28).

What are the key properties of 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 484.99 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10345264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).