3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate

C32H37N7O5 — CID 139423410

About 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate

3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate (PubChem CID 139423410) has the molecular formula C32H37N7O5 and a molecular weight of 599.69 g/mol. Its IUPAC name is 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate.

Molecular Properties

• Compound Name: 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate
• PubChem CID: 139423410
• Molecular Formula: C32H37N7O5
• Molecular Weight: 599.69 g/mol
• Exact Mass: 599.29
• IUPAC Name: 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate
• SMILES: COCCCOC(=O)CC(c1cncc(N2CCCC2=O)n1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
• InChI: InChI=1S/C32H37N7O5/c1-42-14-4-15-44-31(41)18-28(26-20-33-21-29(37-26)38-13-3-6-30(38)40)39-27-10-9-25(17-23(27)19-35-39)43-16-11-24-8-7-22-5-2-12-34-32(22)36-24/h7-10,17,19-21,28H,2-6,11-16,18H2,1H3,(H,34,36)
• InChIKey: PWGADHHUMWOGCB-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 133.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.69
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate?

The IUPAC name of 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate (CID 139423410) is 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate.

What is the SMILES notation for 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate?

The canonical SMILES for 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate is COCCCOC(=O)CC(c1cncc(N2CCCC2=O)n1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.

What is the InChIKey of 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate?

The InChIKey is PWGADHHUMWOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O5/c1-42-14-4-15-44-31(41)18-28(26-20-33-21-29(37-26)38-13-3-6-30(38)40)39-27-10-9-25(17-23(27)19-35-39)43-16-11-24-8-7-22-5-2-12-34-32(22)36-24/h7-10,17,19-21,28H,2-6,11-16,18H2,1H3,(H,34,36).

What are the key properties of 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate?

3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate has a molecular weight of 599.69 g/mol, XLogP of 3.89, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxypropyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate is sourced from PubChem (CID 139423410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).