5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide

C29H27N5O4 — CID 58806815

About 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide

5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide (PubChem CID 58806815) has the molecular formula C29H27N5O4 and a molecular weight of 509.57 g/mol. Its IUPAC name is 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
• PubChem CID: 58806815
• Molecular Formula: C29H27N5O4
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.21
• IUPAC Name: 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
• SMILES: CCN(C)C(=O)c1cc(-c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)n(-c2ccc(OC)nc2)n1
• InChI: InChI=1S/C29H27N5O4/c1-4-32(2)29(37)24-17-25(34(31-24)21-13-14-26(38-3)30-18-21)20-11-9-19(10-12-20)15-16-33-27(35)22-7-5-6-8-23(22)28(33)36/h5-14,17-18H,4,15-16H2,1-3H3
• InChIKey: ZYVWGDNKEMTDEM-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 97.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?

The IUPAC name of 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide (CID 58806815) is 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?

The canonical SMILES for 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide is CCN(C)C(=O)c1cc(-c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)n(-c2ccc(OC)nc2)n1.

What is the InChIKey of 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?

The InChIKey is ZYVWGDNKEMTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O4/c1-4-32(2)29(37)24-17-25(34(31-24)21-13-14-26(38-3)30-18-21)20-11-9-19(10-12-20)15-16-33-27(35)22-7-5-6-8-23(22)28(33)36/h5-14,17-18H,4,15-16H2,1-3H3.

What are the key properties of 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide?

5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 509.57 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 58806815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).