1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C22H23FN4O2 — CID 57405229

About 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 57405229) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
• PubChem CID: 57405229
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.18
• IUPAC Name: 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
• SMILES: O=c1n(Cc2cc3cc(F)ccc3n2CCCCO)c2cnccc2n1C1CC1
• InChI: InChI=1S/C22H23FN4O2/c23-16-3-6-19-15(11-16)12-18(25(19)9-1-2-10-28)14-26-21-13-24-8-7-20(21)27(22(26)29)17-4-5-17/h3,6-8,11-13,17,28H,1-2,4-5,9-10,14H2
• InChIKey: XGGJMZXSHPRWRO-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 64.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 57405229) is 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2cc3cc(F)ccc3n2CCCCO)c2cnccc2n1C1CC1.

What is the InChIKey of 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

The InChIKey is XGGJMZXSHPRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-16-3-6-19-15(11-16)12-18(25(19)9-1-2-10-28)14-26-21-13-24-8-7-20(21)27(22(26)29)17-4-5-17/h3,6-8,11-13,17,28H,1-2,4-5,9-10,14H2.

What are the key properties of 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?

1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 394.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[[5-fluoro-1-(4-hydroxybutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57405229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).