tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C152H176F12N28O16 — CID 159879971

About tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159879971) has the molecular formula C152H176F12N28O16 and a molecular weight of 2879.24 g/mol. Its IUPAC name is tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 159879971
• Molecular Formula: C152H176F12N28O16
• Molecular Weight: 2879.24 g/mol
• Exact Mass: 2877.36
• IUPAC Name: tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CN1CCC(N2CCn3nc(COc4cccc(F)c4)cc3C2=O)C(F)(F)C1.CN1CCC(N2CCn3nc(COc4cccc(F)c4)cc3C2=O)CC1.CN1CCC[C@@H](N2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.CN1CCC[C@H](N2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1(F)F
• InChI: InChI=1S/C19H21F3N4O2.C19H20F3N3O2.3C19H23FN4O2.3C19H22FN3O2/c1-24-6-5-17(19(21,22)12-24)25-7-8-26-16(18(25)27)10-14(23-26)11-28-15-4-2-3-13(20)9-15;20-13-4-3-5-15(10-13)27-12-14-11-16-18(26)24(8-9-25(16)23-14)17-6-1-2-7-19(17,21)22;2*1-22-7-3-5-16(12-22)23-8-9-24-18(19(23)25)11-15(21-24)13-26-17-6-2-4-14(20)10-17;1-22-7-5-16(6-8-22)23-9-10-24-18(19(23)25)12-15(21-24)13-26-17-4-2-3-14(20)11-17;3*20-14-5-4-8-17(11-14)25-13-15-12-18-19(24)22(9-10-23(18)21-15)16-6-2-1-3-7-16/h2-4,9-10,17H,5-8,11-12H2,1H3;3-5,10-11,17H,1-2,6-9,12H2;2*2,4,6,10-11,16H,3,5,7-9,12-13H2,1H3;2-4,11-12,16H,5-10,13H2,1H3;3*4-5,8,11-12,16H,1-3,6-7,9-10,13H2/t;;2*16-;;;;/m..10..../s1
• InChIKey: NTKBFFSHTCSFPM-DJJKGKAHSA-N
• XLogP: 22.65
• TPSA: 391.84 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2879.24
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 159879971) is tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCC(N2CCn3nc(COc4cccc(F)c4)cc3C2=O)C(F)(F)C1.CN1CCC(N2CCn3nc(COc4cccc(F)c4)cc3C2=O)CC1.CN1CCC[C@@H](N2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.CN1CCC[C@H](N2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C1CCCCC1(F)F.

What is the InChIKey of tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is NTKBFFSHTCSFPM-DJJKGKAHSA-N. The full InChI is InChI=1S/C19H21F3N4O2.C19H20F3N3O2.3C19H23FN4O2.3C19H22FN3O2/c1-24-6-5-17(19(21,22)12-24)25-7-8-26-16(18(25)27)10-14(23-26)11-28-15-4-2-3-13(20)9-15;20-13-4-3-5-15(10-13)27-12-14-11-16-18(26)24(8-9-25(16)23-14)17-6-1-2-7-19(17,21)22;2*1-22-7-3-5-16(12-22)23-8-9-24-18(19(23)25)11-15(21-24)13-26-17-6-2-4-14(20)10-17;1-22-7-5-16(6-8-22)23-9-10-24-18(19(23)25)12-15(21-24)13-26-17-4-2-3-14(20)11-17;3*20-14-5-4-8-17(11-14)25-13-15-12-18-19(24)22(9-10-23(18)21-15)16-6-2-1-3-7-16/h2-4,9-10,17H,5-8,11-12H2,1H3;3-5,10-11,17H,1-2,6-9,12H2;2*2,4,6,10-11,16H,3,5,7-9,12-13H2,1H3;2-4,11-12,16H,5-10,13H2,1H3;3*4-5,8,11-12,16H,1-3,6-7,9-10,13H2/t;;2*16-;;;;/m..10..../s1.

What are the key properties of tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2879.24 g/mol, XLogP of 22.65, 32 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159879971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).