carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C102H96Cl3N23O11S — CID 158312634

About carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158312634) has the molecular formula C102H96Cl3N23O11S and a molecular weight of 1958.47 g/mol. Its IUPAC name is carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158312634
• Molecular Formula: C102H96Cl3N23O11S
• Molecular Weight: 1958.47 g/mol
• Exact Mass: 1955.64
• IUPAC Name: carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC[C@H](NC(=O)c1c(C)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1ncsc1-c1cccc2cc([C@H](C)NC(=O)c3c(C)nn4cccnc34)n(-c3ccccc3)c(=O)c12.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCN(C)C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCNCCO.O=C=O
• InChI: InChI=1S/C29H24N6O2S.C26H22ClN5O2.C23H25ClN6O3.C23H25ClN6O2.CO2/c1-17(32-28(36)24-18(2)33-34-14-8-13-30-27(24)34)23-15-20-9-7-12-22(26-19(3)31-16-38-26)25(20)29(37)35(23)21-10-5-4-6-11-21;1-3-20(29-25(33)22-16(2)30-31-14-8-13-28-24(22)31)21-15-17-9-7-12-19(27)23(17)26(34)32(21)18-10-5-4-6-11-18;1-14(27-22(32)19-15(2)28-30-10-4-7-26-21(19)30)18-13-16-5-3-6-17(24)20(16)23(33)29(18)11-8-25-9-12-31;1-14(26-22(31)19-15(2)27-30-10-6-9-25-21(19)30)18-13-16-7-5-8-17(24)20(16)23(32)29(18)12-11-28(3)4;2-1-3/h4-17H,1-3H3,(H,32,36);4-15,20H,3H2,1-2H3,(H,29,33);3-7,10,13-14,25,31H,8-9,11-12H2,1-2H3,(H,27,32);5-10,13-14H,11-12H2,1-4H3,(H,26,31);/t17-;20-;2*14-;/m0000./s1
• InChIKey: GNWBGRLGCACIAI-GXXMJWSRSA-N
• XLogP: 14.70
• TPSA: 407.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.47
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158312634) is carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC[C@H](NC(=O)c1c(C)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1ncsc1-c1cccc2cc([C@H](C)NC(=O)c3c(C)nn4cccnc34)n(-c3ccccc3)c(=O)c12.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCN(C)C.Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1CCNCCO.O=C=O.

What is the InChIKey of carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GNWBGRLGCACIAI-GXXMJWSRSA-N. The full InChI is InChI=1S/C29H24N6O2S.C26H22ClN5O2.C23H25ClN6O3.C23H25ClN6O2.CO2/c1-17(32-28(36)24-18(2)33-34-14-8-13-30-27(24)34)23-15-20-9-7-12-22(26-19(3)31-16-38-26)25(20)29(37)35(23)21-10-5-4-6-11-21;1-3-20(29-25(33)22-16(2)30-31-14-8-13-28-24(22)31)21-15-17-9-7-12-19(27)23(17)26(34)32(21)18-10-5-4-6-11-18;1-14(27-22(32)19-15(2)28-30-10-4-7-26-21(19)30)18-13-16-5-3-6-17(24)20(16)23(33)29(18)11-8-25-9-12-31;1-14(26-22(31)19-15(2)27-30-10-6-9-25-21(19)30)18-13-16-7-5-8-17(24)20(16)23(32)29(18)12-11-28(3)4;2-1-3/h4-17H,1-3H3,(H,32,36);4-15,20H,3H2,1-2H3,(H,29,33);3-7,10,13-14,25,31H,8-9,11-12H2,1-2H3,(H,27,32);5-10,13-14H,11-12H2,1-4H3,(H,26,31);/t17-;20-;2*14-;/m0000./s1.

What are the key properties of carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1958.47 g/mol, XLogP of 14.70, 24 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[(1S)-1-[8-chloro-2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-[8-chloro-2-[2-(2-hydroxyethylamino)ethyl]-1-oxoisoquinolin-3-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-(4-methyl-1,3-thiazol-5-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158312634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).