7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C135H123ClF7N27O14 — CID 159084145

About 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159084145) has the molecular formula C135H123ClF7N27O14 and a molecular weight of 2516.08 g/mol. Its IUPAC name is 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 159084145
• Molecular Formula: C135H123ClF7N27O14
• Molecular Weight: 2516.08 g/mol
• Exact Mass: 2513.93
• IUPAC Name: 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@H]1CN(Cc2ccccc2)C(=O)c2cc(CCl)nn21.C[C@H]1CN(Cc2ccccc2)C(=O)c2cc(CO)nn21.C[C@H]1CNC(=O)c2cc(OCc3ccccc3)nn21.NCC1CNC(=O)c2cc(-c3ccnc(-c4cnc5ccccc5c4)c3)nn21.O=C1NCC(F)n2nc(COc3ccccc3)cc21.O=C1c2cc(COc3ccccc3)nn2C(F)CN1c1ccc(F)cc1.O=C1c2cc(COc3ccccc3)nn2[C@@H](F)CN1c1ccc(F)cc1.O=C1c2cc(COc3ccccc3)nn2[C@H](F)CN1c1ccc(F)cc1
• InChI: InChI=1S/C21H18N6O.3C19H15F2N3O2.C15H16ClN3O.C15H17N3O2.C14H15N3O2.C13H12FN3O2/c22-10-16-12-25-21(28)20-9-19(26-27(16)20)14-5-6-23-18(8-14)15-7-13-3-1-2-4-17(13)24-11-15;3*20-13-6-8-15(9-7-13)23-11-18(21)24-17(19(23)25)10-14(22-24)12-26-16-4-2-1-3-5-16;1-11-9-18(10-12-5-3-2-4-6-12)15(20)14-7-13(8-16)17-19(11)14;1-11-8-17(9-12-5-3-2-4-6-12)15(20)14-7-13(10-19)16-18(11)14;1-10-8-15-14(18)12-7-13(16-17(10)12)19-9-11-5-3-2-4-6-11;14-12-7-15-13(18)11-6-9(16-17(11)12)8-19-10-4-2-1-3-5-10/h1-9,11,16H,10,12,22H2,(H,25,28);3*1-10,18H,11-12H2;2-7,11H,8-10H2,1H3;2-7,11,19H,8-10H2,1H3;2-7,10H,8-9H2,1H3,(H,15,18);1-6,12H,7-8H2,(H,15,18)/t;2*18-;;2*11-;10-;/m.10.000./s1
• InChIKey: KBFNXJHYCNSEGF-WSOWIEGPSA-N
• XLogP: 21.46
• TPSA: 449.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2516.08
LogP ≤ 5	21.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 159084145) is 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(Cc2ccccc2)C(=O)c2cc(CCl)nn21.C[C@H]1CN(Cc2ccccc2)C(=O)c2cc(CO)nn21.C[C@H]1CNC(=O)c2cc(OCc3ccccc3)nn21.NCC1CNC(=O)c2cc(-c3ccnc(-c4cnc5ccccc5c4)c3)nn21.O=C1NCC(F)n2nc(COc3ccccc3)cc21.O=C1c2cc(COc3ccccc3)nn2C(F)CN1c1ccc(F)cc1.O=C1c2cc(COc3ccccc3)nn2[C@@H](F)CN1c1ccc(F)cc1.O=C1c2cc(COc3ccccc3)nn2[C@H](F)CN1c1ccc(F)cc1.

What is the InChIKey of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is KBFNXJHYCNSEGF-WSOWIEGPSA-N. The full InChI is InChI=1S/C21H18N6O.3C19H15F2N3O2.C15H16ClN3O.C15H17N3O2.C14H15N3O2.C13H12FN3O2/c22-10-16-12-25-21(28)20-9-19(26-27(16)20)14-5-6-23-18(8-14)15-7-13-3-1-2-4-17(13)24-11-15;3*20-13-6-8-15(9-7-13)23-11-18(21)24-17(19(23)25)10-14(22-24)12-26-16-4-2-1-3-5-16;1-11-9-18(10-12-5-3-2-4-6-12)15(20)14-7-13(8-16)17-19(11)14;1-11-8-17(9-12-5-3-2-4-6-12)15(20)14-7-13(10-19)16-18(11)14;1-10-8-15-14(18)12-7-13(16-17(10)12)19-9-11-5-3-2-4-6-11;14-12-7-15-13(18)11-6-9(16-17(11)12)8-19-10-4-2-1-3-5-10/h1-9,11,16H,10,12,22H2,(H,25,28);3*1-10,18H,11-12H2;2-7,11H,8-10H2,1H3;2-7,11,19H,8-10H2,1H3;2-7,10H,8-9H2,1H3,(H,15,18);1-6,12H,7-8H2,(H,15,18)/t;2*18-;;2*11-;10-;/m.10.000./s1.

What are the key properties of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2516.08 g/mol, XLogP of 21.46, 27 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(chloromethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-5-benzyl-2-(hydroxymethyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7S)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(7R)-7-fluoro-5-(4-fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;7-fluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;(7S)-7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159084145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).