1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C18H21FN4O — CID 176983459

About 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 176983459) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 176983459
• Molecular Formula: C18H21FN4O
• Molecular Weight: 328.39 g/mol
• Exact Mass: 328.17
• IUPAC Name: 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(F)ccc43)nn2C)C1
• InChI: InChI=1S/C18H21FN4O/c1-12(24)22-9-7-17-15(11-22)18(20-21(17)2)23-8-3-4-13-10-14(19)5-6-16(13)23/h5-6,10H,3-4,7-9,11H2,1-2H3
• InChIKey: PKQJZXJAUANODG-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.39
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 176983459) is 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cc(F)ccc43)nn2C)C1.

What is the InChIKey of 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is PKQJZXJAUANODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12(24)22-9-7-17-15(11-22)18(20-21(17)2)23-8-3-4-13-10-14(19)5-6-16(13)23/h5-6,10H,3-4,7-9,11H2,1-2H3.

What are the key properties of 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 176983459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).