5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide

C102H103ClF3N21O8 — CID 160835443

About 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide

5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide (PubChem CID 160835443) has the molecular formula C102H103ClF3N21O8 and a molecular weight of 1843.53 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide
• PubChem CID: 160835443
• Molecular Formula: C102H103ClF3N21O8
• Molecular Weight: 1843.53 g/mol
• Exact Mass: 1841.79
• IUPAC Name: 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide
• SMILES: Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC(=O)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC(F)(F)F)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC3CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(C#CCN3CCCC3)cc21
• InChI: InChI=1S/C28H28ClN5O2.C21H24N4O.C19H20N4O.C17H15F3N4O.C17H16N4O3/c1-19-25-26(32-31-19)23-18-20(6-4-16-33-14-2-3-15-33)7-12-24(23)34(28(25)36)17-5-13-30-27(35)21-8-10-22(29)11-9-21;1-14-19-20(24-23-14)17-13-16(8-7-15-5-2-3-6-15)9-10-18(17)25(21(19)26)12-4-11-22;1-12-17-18(22-21-12)15-11-14(6-5-13-3-4-13)7-8-16(15)23(19(17)24)10-2-9-20;1-10-14-15(23-22-10)12-9-11(5-6-17(18,19)20)3-4-13(12)24(16(14)25)8-2-7-21;1-10-15-16(20-19-10)12-9-11(4-6-14(22)23)3-5-13(12)21(17(15)24)8-2-7-18/h7-12,18H,2-3,5,13-17H2,1H3,(H,30,35)(H,31,32);9-10,13,15H,2-6,11-12,22H2,1H3,(H,23,24);7-8,11,13H,2-4,9-10,20H2,1H3,(H,21,22);3-4,9H,2,7-8,21H2,1H3,(H,22,23);3,5,9H,2,7-8,18H2,1H3,(H,19,20)(H,22,23)
• InChIKey: SHISSIMOOKXTEV-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 427.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1843.53
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide?

The IUPAC name of 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide (CID 160835443) is 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide.

What is the SMILES notation for 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide?

The canonical SMILES for 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide is Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC(=O)O)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC(F)(F)F)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC3CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CC3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(C#CCN3CCCC3)cc21.

What is the InChIKey of 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide?

The InChIKey is SHISSIMOOKXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2.C21H24N4O.C19H20N4O.C17H15F3N4O.C17H16N4O3/c1-19-25-26(32-31-19)23-18-20(6-4-16-33-14-2-3-15-33)7-12-24(23)34(28(25)36)17-5-13-30-27(35)21-8-10-22(29)11-9-21;1-14-19-20(24-23-14)17-13-16(8-7-15-5-2-3-6-15)9-10-18(17)25(21(19)26)12-4-11-22;1-12-17-18(22-21-12)15-11-14(6-5-13-3-4-13)7-8-16(15)23(19(17)24)10-2-9-20;1-10-14-15(23-22-10)12-9-11(5-6-17(18,19)20)3-4-13(12)24(16(14)25)8-2-7-21;1-10-15-16(20-19-10)12-9-11(4-6-14(22)23)3-5-13(12)21(17(15)24)8-2-7-18/h7-12,18H,2-3,5,13-17H2,1H3,(H,30,35)(H,31,32);9-10,13,15H,2-6,11-12,22H2,1H3,(H,23,24);7-8,11,13H,2-4,9-10,20H2,1H3,(H,21,22);3-4,9H,2,7-8,21H2,1H3,(H,22,23);3,5,9H,2,7-8,18H2,1H3,(H,19,20)(H,22,23).

What are the key properties of 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide?

5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide has a molecular weight of 1843.53 g/mol, XLogP of 12.90, 18 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide is sourced from PubChem (CID 160835443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).