N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C96H89Cl4N27O10 — CID 158588559

About N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158588559) has the molecular formula C96H89Cl4N27O10 and a molecular weight of 1922.76 g/mol. Its IUPAC name is N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158588559
• Molecular Formula: C96H89Cl4N27O10
• Molecular Weight: 1922.76 g/mol
• Exact Mass: 1919.60
• IUPAC Name: N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(=O)NCCn1c([C@H](C)NC(=O)c2c(C)nn3cccnc23)cc2cccc(Cl)c2c1=O.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCc1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCc1nn[nH]n1.Cc1noc(CCn2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)n1
• InChI: InChI=1S/C27H24ClN5O2.C24H22ClN7O3.C23H23ClN6O3.C22H20ClN9O2/c1-17(30-26(34)23-18(2)31-33-14-7-13-29-25(23)33)22-16-20-10-6-11-21(28)24(20)27(35)32(22)15-12-19-8-4-3-5-9-19;1-13(27-23(33)20-14(2)29-32-10-5-9-26-22(20)32)18-12-16-6-4-7-17(25)21(16)24(34)31(18)11-8-19-28-15(3)30-35-19;1-13(27-22(32)19-14(2)28-30-10-5-8-26-21(19)30)18-12-16-6-4-7-17(24)20(16)23(33)29(18)11-9-25-15(3)31;1-12(25-21(33)18-13(2)28-32-9-4-8-24-20(18)32)16-11-14-5-3-6-15(23)19(14)22(34)31(16)10-7-17-26-29-30-27-17/h3-11,13-14,16-17H,12,15H2,1-2H3,(H,30,34);4-7,9-10,12-13H,8,11H2,1-3H3,(H,27,33);4-8,10,12-13H,9,11H2,1-3H3,(H,25,31)(H,27,32);3-6,8-9,11-12H,7,10H2,1-2H3,(H,25,33)(H,26,27,29,30)/t17-;2*13-;12-/m0000/s1
• InChIKey: HUDKJJIXLVDSNM-JKSMGGMYSA-N
• XLogP: 13.06
• TPSA: 447.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.76
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158588559) is N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)NCCn1c([C@H](C)NC(=O)c2c(C)nn3cccnc23)cc2cccc(Cl)c2c1=O.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCc1ccccc1.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCc1nn[nH]n1.Cc1noc(CCn2c([C@H](C)NC(=O)c3c(C)nn4cccnc34)cc3cccc(Cl)c3c2=O)n1.

What is the InChIKey of N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HUDKJJIXLVDSNM-JKSMGGMYSA-N. The full InChI is InChI=1S/C27H24ClN5O2.C24H22ClN7O3.C23H23ClN6O3.C22H20ClN9O2/c1-17(30-26(34)23-18(2)31-33-14-7-13-29-25(23)33)22-16-20-10-6-11-21(28)24(20)27(35)32(22)15-12-19-8-4-3-5-9-19;1-13(27-23(33)20-14(2)29-32-10-5-9-26-22(20)32)18-12-16-6-4-7-17(25)21(16)24(34)31(18)11-8-19-28-15(3)30-35-19;1-13(27-22(32)19-14(2)28-30-10-5-8-26-21(19)30)18-12-16-6-4-7-17(24)20(16)23(33)29(18)11-9-25-15(3)31;1-12(25-21(33)18-13(2)28-32-9-4-8-24-20(18)32)16-11-14-5-3-6-15(23)19(14)22(34)31(16)10-7-17-26-29-30-27-17/h3-11,13-14,16-17H,12,15H2,1-2H3,(H,30,34);4-7,9-10,12-13H,8,11H2,1-3H3,(H,27,33);4-8,10,12-13H,9,11H2,1-3H3,(H,25,31)(H,27,32);3-6,8-9,11-12H,7,10H2,1-2H3,(H,25,33)(H,26,27,29,30)/t17-;2*13-;12-/m0000/s1.

What are the key properties of N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1922.76 g/mol, XLogP of 13.06, 24 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[2-(2-acetamidoethyl)-8-chloro-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-(2-phenylethyl)isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-1-oxo-2-[2-(2H-tetrazol-5-yl)ethyl]isoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158588559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).