1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone

C26H32F4N4O2 — CID 118561460

About 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone

1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone (PubChem CID 118561460) has the molecular formula C26H32F4N4O2 and a molecular weight of 508.56 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone.

Molecular Properties

• Compound Name: 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone
• PubChem CID: 118561460
• Molecular Formula: C26H32F4N4O2
• Molecular Weight: 508.56 g/mol
• Exact Mass: 508.25
• IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone
• SMILES: O=C(CC1CCC(N2CCOCC2)CC1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
• InChI: InChI=1S/C26H32F4N4O2/c27-20-5-1-19(2-6-20)16-34-23-17-33(10-9-22(23)25(31-34)26(28,29)30)24(35)15-18-3-7-21(8-4-18)32-11-13-36-14-12-32/h1-2,5-6,18,21H,3-4,7-17H2
• InChIKey: YLYMCKVGUKTXPB-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.56
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone (CID 118561460) is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone.

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

The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone is O=C(CC1CCC(N2CCOCC2)CC1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1.

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

The InChIKey is YLYMCKVGUKTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N4O2/c27-20-5-1-19(2-6-20)16-34-23-17-33(10-9-22(23)25(31-34)26(28,29)30)24(35)15-18-3-7-21(8-4-18)32-11-13-36-14-12-32/h1-2,5-6,18,21H,3-4,7-17H2.

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

1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone has a molecular weight of 508.56 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone is sourced from PubChem (CID 118561460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).