5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide

C93H105N23O8 — CID 157143493

About 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide

5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide (PubChem CID 157143493) has the molecular formula C93H105N23O8 and a molecular weight of 1673.02 g/mol. Its IUPAC name is 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide
• PubChem CID: 157143493
• Molecular Formula: C93H105N23O8
• Molecular Weight: 1673.02 g/mol
• Exact Mass: 1671.85
• IUPAC Name: 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide
• SMILES: Cc1[nH]nc2c1c(=O)n(CCC(C)(C)N)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1cnc(C(=O)NCCN(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1cnc(C(C)(C)c3ccncc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1cnc(CCN(C)C)cc21
• InChI: InChI=1S/C28H28N6O2.C25H29N7O3.C24H28N6O2.C16H20N4O/c1-18-24-25(33-32-18)21-16-23(28(2,3)20-10-13-29-14-11-20)31-17-22(21)34(27(24)36)15-7-12-30-26(35)19-8-5-4-6-9-19;1-16-21-22(30-29-16)18-14-19(24(34)27-11-13-31(2)3)28-15-20(18)32(25(21)35)12-7-10-26-23(33)17-8-5-4-6-9-17;1-16-21-22(28-27-16)19-14-18(10-13-29(2)3)26-15-20(19)30(24(21)32)12-7-11-25-23(31)17-8-5-4-6-9-17;1-10-13-14(19-18-10)11-6-4-5-7-12(11)20(15(13)21)9-8-16(2,3)17/h4-6,8-11,13-14,16-17H,7,12,15H2,1-3H3,(H,30,35)(H,32,33);4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,26,33)(H,27,34)(H,29,30);4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,25,31)(H,27,28);4-7H,8-9,17H2,1-3H3,(H,18,19)
• InChIKey: AKLHTOSOHRLSKX-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 403.18 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1673.02
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide?

The IUPAC name of 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide (CID 157143493) is 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide.

What is the SMILES notation for 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide?

The canonical SMILES for 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide is Cc1[nH]nc2c1c(=O)n(CCC(C)(C)N)c1ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1cnc(C(=O)NCCN(C)C)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1cnc(C(C)(C)c3ccncc3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1)c1cnc(CCN(C)C)cc21.

What is the InChIKey of 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide?

The InChIKey is AKLHTOSOHRLSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C25H29N7O3.C24H28N6O2.C16H20N4O/c1-18-24-25(33-32-18)21-16-23(28(2,3)20-10-13-29-14-11-20)31-17-22(21)34(27(24)36)15-7-12-30-26(35)19-8-5-4-6-9-19;1-16-21-22(30-29-16)18-14-19(24(34)27-11-13-31(2)3)28-15-20(18)32(25(21)35)12-7-10-26-23(33)17-8-5-4-6-9-17;1-16-21-22(28-27-16)19-14-18(10-13-29(2)3)26-15-20(19)30(24(21)32)12-7-11-25-23(31)17-8-5-4-6-9-17;1-10-13-14(19-18-10)11-6-4-5-7-12(11)20(15(13)21)9-8-16(2,3)17/h4-6,8-11,13-14,16-17H,7,12,15H2,1-3H3,(H,30,35)(H,32,33);4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,26,33)(H,27,34)(H,29,30);4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,25,31)(H,27,28);4-7H,8-9,17H2,1-3H3,(H,18,19).

What are the key properties of 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide?

5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide has a molecular weight of 1673.02 g/mol, XLogP of 10.63, 27 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide is sourced from PubChem (CID 157143493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).