8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one

C120H116N34O10 — CID 160646063

About 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one

8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (PubChem CID 160646063) has the molecular formula C120H116N34O10 and a molecular weight of 2194.48 g/mol. Its IUPAC name is 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.

Molecular Properties

• Compound Name: 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
• PubChem CID: 160646063
• Molecular Formula: C120H116N34O10
• Molecular Weight: 2194.48 g/mol
• Exact Mass: 2192.96
• IUPAC Name: 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
• SMILES: CC1CN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3n2)CC(C)O1.CN1CCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1.O=C1CN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3n2)CCN1.O=c1c2cnc3ccc(N4CCC(O)CC4)nc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCCC(CO)C4)nc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCCNCC4)nc3c2[nH]n1-c1ccccc1
• InChI: InChI=1S/2C21H21N5O2.C20H20N6O.C20H19N5O2.C19H19N7O.C19H16N6O2/c1-13-11-25(12-14(2)28-13)18-9-8-17-20(23-18)19-16(10-22-17)21(27)26(24-19)15-6-4-3-5-7-15;27-13-14-5-4-10-25(12-14)18-9-8-17-20(23-18)19-16(11-22-17)21(28)26(24-19)15-6-2-1-3-7-15;27-20-15-13-22-16-7-8-17(25-11-4-9-21-10-12-25)23-19(16)18(15)24-26(20)14-5-2-1-3-6-14;26-14-8-10-24(11-9-14)17-7-6-16-19(22-17)18-15(12-21-16)20(27)25(23-18)13-4-2-1-3-5-13;1-24-8-10-25(11-9-24)16-6-5-14-18(22-16)17-13(12-21-14)19(27)26(23-17)15-4-2-3-7-20-15;26-16-11-24(9-8-20-16)15-7-6-14-18(22-15)17-13(10-21-14)19(27)25(23-17)12-4-2-1-3-5-12/h3-10,13-14,24H,11-12H2,1-2H3;1-3,6-9,11,14,24,27H,4-5,10,12-13H2;1-3,5-8,13,21,24H,4,9-12H2;1-7,12,14,23,26H,8-11H2;2-7,12,23H,8-11H2,1H3;1-7,10,23H,8-9,11H2,(H,20,26)
• InChIKey: BINYUXPCJQZVBL-UHFFFAOYSA-N
• XLogP: 12.24
• TPSA: 507.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 13
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.48
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?

The IUPAC name of 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (CID 160646063) is 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.

What is the SMILES notation for 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?

The canonical SMILES for 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is CC1CN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3n2)CC(C)O1.CN1CCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1.O=C1CN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3n2)CCN1.O=c1c2cnc3ccc(N4CCC(O)CC4)nc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCCC(CO)C4)nc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCCNCC4)nc3c2[nH]n1-c1ccccc1.

What is the InChIKey of 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?

The InChIKey is BINYUXPCJQZVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N5O2.C20H20N6O.C20H19N5O2.C19H19N7O.C19H16N6O2/c1-13-11-25(12-14(2)28-13)18-9-8-17-20(23-18)19-16(10-22-17)21(27)26(24-19)15-6-4-3-5-7-15;27-13-14-5-4-10-25(12-14)18-9-8-17-20(23-18)19-16(11-22-17)21(28)26(24-19)15-6-2-1-3-7-15;27-20-15-13-22-16-7-8-17(25-11-4-9-21-10-12-25)23-19(16)18(15)24-26(20)14-5-2-1-3-6-14;26-14-8-10-24(11-9-14)17-7-6-16-19(22-17)18-15(12-21-16)20(27)25(23-18)13-4-2-1-3-5-13;1-24-8-10-25(11-9-24)16-6-5-14-18(22-16)17-13(12-21-14)19(27)26(23-17)15-4-2-3-7-20-15;26-16-11-24(9-8-20-16)15-7-6-14-18(22-15)17-13(10-21-14)19(27)25(23-17)12-4-2-1-3-5-12/h3-10,13-14,24H,11-12H2,1-2H3;1-3,6-9,11,14,24,27H,4-5,10,12-13H2;1-3,5-8,13,21,24H,4,9-12H2;1-7,12,14,23,26H,8-11H2;2-7,12,23H,8-11H2,1H3;1-7,10,23H,8-9,11H2,(H,20,26).

What are the key properties of 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?

8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one has a molecular weight of 2194.48 g/mol, XLogP of 12.24, 13 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is sourced from PubChem (CID 160646063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).