1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)

C178H210F2N32O9 — CID 160939841

About 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)

1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone) (PubChem CID 160939841) has the molecular formula C178H210F2N32O9 and a molecular weight of 2979.85 g/mol. Its IUPAC name is 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone).

Molecular Properties

• Compound Name: 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)
• PubChem CID: 160939841
• Molecular Formula: C178H210F2N32O9
• Molecular Weight: 2979.85 g/mol
• Exact Mass: 2977.69
• IUPAC Name: 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)
• SMILES: CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CC(C)N1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CC(F)CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.COCCN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1
• InChI: InChI=1S/2C23H28N4O.2C22H25FN4O.C22H26N4O2.3C22H26N4O/c2*1-16(2)15-27-7-5-17(6-8-27)23(28)11-22-10-20-9-18(21-13-25-26-14-21)3-4-19(20)12-24-22;1-15(23)14-27-6-4-16(5-7-27)22(28)10-21-9-19-8-17(20-12-25-26-13-20)2-3-18(19)11-24-21;1-2-7-27-8-5-22(23,6-9-27)21(28)12-20-11-18-10-16(19-14-25-26-15-19)3-4-17(18)13-24-20;1-28-9-8-26-6-4-16(5-7-26)22(27)12-21-11-19-10-17(20-14-24-25-15-20)2-3-18(19)13-23-21;1-15(2)26-7-5-16(6-8-26)22(27)11-21-10-19-9-17(20-13-24-25-14-20)3-4-18(19)12-23-21;2*1-2-7-26-8-5-16(6-9-26)22(27)12-21-11-19-10-17(20-14-24-25-15-20)3-4-18(19)13-23-21/h2*3-4,9-10,12-14,16-17H,5-8,11,15H2,1-2H3,(H,25,26);2-3,8-9,11-13,15-16H,4-7,10,14H2,1H3,(H,25,26);3-4,10-11,13-15H,2,5-9,12H2,1H3,(H,25,26);2-3,10-11,13-16H,4-9,12H2,1H3,(H,24,25);3-4,9-10,12-16H,5-8,11H2,1-2H3,(H,24,25);2*3-4,10-11,13-16H,2,5-9,12H2,1H3,(H,24,25)
• InChIKey: SUJAZGNSCSXOLT-UHFFFAOYSA-N
• XLogP: 30.63
• TPSA: 504.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 48
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2979.85
LogP ≤ 5	30.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)?

The IUPAC name of 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone) (CID 160939841) is 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone).

What is the SMILES notation for 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)?

The canonical SMILES for 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone) is CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CC(C)CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CC(C)N1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CC(F)CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.COCCN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.

What is the InChIKey of 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)?

The InChIKey is SUJAZGNSCSXOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28N4O.2C22H25FN4O.C22H26N4O2.3C22H26N4O/c2*1-16(2)15-27-7-5-17(6-8-27)23(28)11-22-10-20-9-18(21-13-25-26-14-21)3-4-19(20)12-24-22;1-15(23)14-27-6-4-16(5-7-27)22(28)10-21-9-19-8-17(20-12-25-26-13-20)2-3-18(19)11-24-21;1-2-7-27-8-5-22(23,6-9-27)21(28)12-20-11-18-10-16(19-14-25-26-15-19)3-4-17(18)13-24-20;1-28-9-8-26-6-4-16(5-7-26)22(27)12-21-11-19-10-17(20-14-24-25-15-20)2-3-18(19)13-23-21;1-15(2)26-7-5-16(6-8-26)22(27)11-21-10-19-9-17(20-13-24-25-14-20)3-4-18(19)12-23-21;2*1-2-7-26-8-5-16(6-9-26)22(27)12-21-11-19-10-17(20-14-24-25-15-20)3-4-18(19)13-23-21/h2*3-4,9-10,12-14,16-17H,5-8,11,15H2,1-2H3,(H,25,26);2-3,8-9,11-13,15-16H,4-7,10,14H2,1H3,(H,25,26);3-4,10-11,13-15H,2,5-9,12H2,1H3,(H,25,26);2-3,10-11,13-16H,4-9,12H2,1H3,(H,24,25);3-4,9-10,12-16H,5-8,11H2,1-2H3,(H,24,25);2*3-4,10-11,13-16H,2,5-9,12H2,1H3,(H,24,25).

What are the key properties of 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)?

1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone) has a molecular weight of 2979.85 g/mol, XLogP of 30.63, 48 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone) is sourced from PubChem (CID 160939841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).