2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C25H26FN5O3 — CID 26139219

About 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 26139219) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 26139219
• Molecular Formula: C25H26FN5O3
• Molecular Weight: 463.51 g/mol
• Exact Mass: 463.20
• IUPAC Name: 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: O=C(Cc1ccccc1F)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccn2)C1
• InChI: InChI=1S/C25H26FN5O3/c26-21-7-2-1-5-18(21)15-23(32)30-10-8-22-20(17-30)24(25(33)29-11-13-34-14-12-29)28-31(22)16-19-6-3-4-9-27-19/h1-7,9H,8,10-17H2
• InChIKey: FKNQAGXGRMAGJA-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 80.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.51
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 26139219) is 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is O=C(Cc1ccccc1F)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccn2)C1.

What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is FKNQAGXGRMAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c26-21-7-2-1-5-18(21)15-23(32)30-10-8-22-20(17-30)24(25(33)29-11-13-34-14-12-29)28-31(22)16-19-6-3-4-9-27-19/h1-7,9H,8,10-17H2.

What are the key properties of 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 463.51 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 26139219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).