1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone

C27H32N7O2+ — CID 123449756

About 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone (PubChem CID 123449756) has the molecular formula C27H32N7O2+ and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 123449756
• Molecular Formula: C27H32N7O2+
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.26
• IUPAC Name: 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(N6CCCC6)nc5)cc34)c[n+]2C)CC1
• InChI: InChI=1S/C27H32N7O2/c1-18(35)32-11-7-21(8-12-32)34-17-20(16-31(34)2)23-15-30-27(28)26-22(23)13-24(36-26)19-5-6-25(29-14-19)33-9-3-4-10-33/h5-6,13-17,21H,3-4,7-12H2,1-2H3,(H2,28,30)/q+1
• InChIKey: FYASYNIZPZFLSK-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 97.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone (CID 123449756) is 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(N6CCCC6)nc5)cc34)c[n+]2C)CC1.

What is the InChIKey of 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone?

The InChIKey is FYASYNIZPZFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N7O2/c1-18(35)32-11-7-21(8-12-32)34-17-20(16-31(34)2)23-15-30-27(28)26-22(23)13-24(36-26)19-5-6-25(29-14-19)33-9-3-4-10-33/h5-6,13-17,21H,3-4,7-12H2,1-2H3,(H2,28,30)/q+1.

What are the key properties of 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone?

1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone has a molecular weight of 486.60 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[7-amino-2-(6-pyrrolidin-1-yl-3-pyridinyl)furo[2,3-c]pyridin-4-yl]-2-methylpyrazol-2-ium-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 123449756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).