azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone

C87H95N23O6 — CID 163810716

About azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone

azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone (PubChem CID 163810716) has the molecular formula C87H95N23O6 and a molecular weight of 1558.87 g/mol. Its IUPAC name is azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone.

Molecular Properties

• Compound Name: azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone
• PubChem CID: 163810716
• Molecular Formula: C87H95N23O6
• Molecular Weight: 1558.87 g/mol
• Exact Mass: 1557.78
• IUPAC Name: azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone
• SMILES: C=Cc1[nH]nc(C(=O)N2CCC2)c1-c1cnc(-c2cn[nH]c2C)c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)CO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(C(=O)COCCN(C)C)c2c1)C1=CCCCC1
• InChI: InChI=1S/C24H30N6O2.C22H24N6O.C21H22N6O.C20H19N5O2/c1-16-20(14-25-27-16)23(17-7-5-4-6-8-17)26-18-9-10-21-19(13-18)24(29-28-21)22(31)15-32-12-11-30(2)3;1-3-18-19(21(27-26-18)22(29)28-9-6-10-28)17-11-23-20(16-12-24-25-13(16)2)15-8-5-4-7-14(15)17;1-11-14(10-22-24-11)19-13-7-5-4-6-12(13)17-15(23-19)8-9-16-18(17)20(26-25-16)21(28)27(2)3;1-10-13(8-21-23-10)19-12-5-3-2-4-11(12)17-14(22-19)6-7-15-18(17)20(25-24-15)16(27)9-26/h7,9-10,13-14H,4-6,8,11-12,15H2,1-3H3,(H,25,27)(H,28,29);3,11-12H,1,4-10H2,2H3,(H,24,25)(H,26,27);8-10H,4-7H2,1-3H3,(H,22,24)(H,25,26);6-8,26H,2-5,9H2,1H3,(H,21,23)(H,24,25)/b26-23+
• InChIKey: NMZGJQKEUVZLGG-LCSVNMTASA-N
• XLogP: 13.77
• TPSA: 387.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1558.87
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone?

The IUPAC name of azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone (CID 163810716) is azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone.

What is the SMILES notation for azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone?

The canonical SMILES for azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone is C=Cc1[nH]nc(C(=O)N2CCC2)c1-c1cnc(-c2cn[nH]c2C)c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)CO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(C(=O)COCCN(C)C)c2c1)C1=CCCCC1.

What is the InChIKey of azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone?

The InChIKey is NMZGJQKEUVZLGG-LCSVNMTASA-N. The full InChI is InChI=1S/C24H30N6O2.C22H24N6O.C21H22N6O.C20H19N5O2/c1-16-20(14-25-27-16)23(17-7-5-4-6-8-17)26-18-9-10-21-19(13-18)24(29-28-21)22(31)15-32-12-11-30(2)3;1-3-18-19(21(27-26-18)22(29)28-9-6-10-28)17-11-23-20(16-12-24-25-13(16)2)15-8-5-4-7-14(15)17;1-11-14(10-22-24-11)19-13-7-5-4-6-12(13)17-15(23-19)8-9-16-18(17)20(26-25-16)21(28)27(2)3;1-10-13(8-21-23-10)19-12-5-3-2-4-11(12)17-14(22-19)6-7-15-18(17)20(25-24-15)16(27)9-26/h7,9-10,13-14H,4-6,8,11-12,15H2,1-3H3,(H,25,27)(H,28,29);3,11-12H,1,4-10H2,2H3,(H,24,25)(H,26,27);8-10H,4-7H2,1-3H3,(H,22,24)(H,25,26);6-8,26H,2-5,9H2,1H3,(H,21,23)(H,24,25)/b26-23+;;;.

What are the key properties of azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone?

azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone has a molecular weight of 1558.87 g/mol, XLogP of 13.77, 18 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[5-ethenyl-4-[1-(5-methyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydroisoquinolin-4-yl]-1H-pyrazol-3-yl]methanone;1-[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-2-[2-(dimethylamino)ethoxy]ethanone;N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;2-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone is sourced from PubChem (CID 163810716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).