5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C135H131FN30O15 — CID 157066210

About 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 157066210) has the molecular formula C135H131FN30O15 and a molecular weight of 2432.73 g/mol. Its IUPAC name is 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 157066210
• Molecular Formula: C135H131FN30O15
• Molecular Weight: 2432.73 g/mol
• Exact Mass: 2431.04
• IUPAC Name: 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: COc1cccnc1N1CCn2nc(OCc3ccccc3)cc2C1=O.Cc1ccc(N2C(=O)c3cc(OCc4ccccc4)nn3C[C@H]2C)nc1.Cc1ccc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)nc1.Cc1cccc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1ccnc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1nc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)ccc1F.Cc1nccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1
• InChI: InChI=1S/C20H19FN4O2.3C20H20N4O2.C19H18N4O3.2C18H17N5O2/c1-14-16(21)8-9-18(22-14)24-10-5-11-25-17(20(24)26)12-19(23-25)27-13-15-6-3-2-4-7-15;1-14-8-9-18(21-11-14)24-15(2)12-23-17(20(24)25)10-19(22-23)26-13-16-6-4-3-5-7-16;1-15-7-5-10-18(21-15)23-11-6-12-24-17(20(23)25)13-19(22-24)26-14-16-8-3-2-4-9-16;1-15-8-9-18(21-13-15)23-10-5-11-24-17(20(23)25)12-19(22-24)26-14-16-6-3-2-4-7-16;1-25-16-8-5-9-20-18(16)22-10-11-23-15(19(22)24)12-17(21-23)26-13-14-6-3-2-4-7-14;1-13-19-8-7-16(20-13)22-9-10-23-15(18(22)24)11-17(21-23)25-12-14-5-3-2-4-6-14;1-13-7-8-19-18(20-13)22-9-10-23-15(17(22)24)11-16(21-23)25-12-14-5-3-2-4-6-14/h2-4,6-9,12H,5,10-11,13H2,1H3;3-11,15H,12-13H2,1-2H3;2-5,7-10,13H,6,11-12,14H2,1H3;2-4,6-9,12-13H,5,10-11,14H2,1H3;2-9,12H,10-11,13H2,1H3;2*2-8,11H,9-10,12H2,1H3/t;15-;;;;;/m.1...../s1
• InChIKey: ABXCINHTQDFMLI-NIHDXEJESA-N
• XLogP: 19.97
• TPSA: 456.76 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.73
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 157066210) is 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1cccnc1N1CCn2nc(OCc3ccccc3)cc2C1=O.Cc1ccc(N2C(=O)c3cc(OCc4ccccc4)nn3C[C@H]2C)nc1.Cc1ccc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)nc1.Cc1cccc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1ccnc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.Cc1nc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)ccc1F.Cc1nccc(N2CCn3nc(OCc4ccccc4)cc3C2=O)n1.

What is the InChIKey of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is ABXCINHTQDFMLI-NIHDXEJESA-N. The full InChI is InChI=1S/C20H19FN4O2.3C20H20N4O2.C19H18N4O3.2C18H17N5O2/c1-14-16(21)8-9-18(22-14)24-10-5-11-25-17(20(24)26)12-19(23-25)27-13-15-6-3-2-4-7-15;1-14-8-9-18(21-11-14)24-15(2)12-23-17(20(24)25)10-19(22-23)26-13-16-6-4-3-5-7-16;1-15-7-5-10-18(21-15)23-11-6-12-24-17(20(23)25)13-19(22-24)26-14-16-8-3-2-4-9-16;1-15-8-9-18(21-13-15)23-10-5-11-24-17(20(23)25)12-19(22-24)26-14-16-6-3-2-4-7-16;1-25-16-8-5-9-20-18(16)22-10-11-23-15(19(22)24)12-17(21-23)26-13-14-6-3-2-4-7-14;1-13-19-8-7-16(20-13)22-9-10-23-15(18(22)24)11-17(21-23)25-12-14-5-3-2-4-6-14;1-13-7-8-19-18(20-13)22-9-10-23-15(17(22)24)11-16(21-23)25-12-14-5-3-2-4-6-14/h2-4,6-9,12H,5,10-11,13H2,1H3;3-11,15H,12-13H2,1-2H3;2-5,7-10,13H,6,11-12,14H2,1H3;2-4,6-9,12-13H,5,10-11,14H2,1H3;2-9,12H,10-11,13H2,1H3;2*2-8,11H,9-10,12H2,1H3/t;15-;;;;;/m.1...../s1.

What are the key properties of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2432.73 g/mol, XLogP of 19.97, 29 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(3-methoxy-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(5-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(2-methylpyrimidin-4-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylpyrimidin-2-yl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 157066210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).