8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate

C101H79BF10N24O6 — CID 158041946

About 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate

8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate (PubChem CID 158041946) has the molecular formula C101H79BF10N24O6 and a molecular weight of 1937.77 g/mol. Its IUPAC name is 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate.

Molecular Properties

• Compound Name: 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate
• PubChem CID: 158041946
• Molecular Formula: C101H79BF10N24O6
• Molecular Weight: 1937.77 g/mol
• Exact Mass: 1936.73
• IUPAC Name: 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate
• SMILES: CC1(C)OB(O)c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C1c2ccccc2C(=O)N1Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.O=COc1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12.[2H]C1([2H])Cc2c(c(-c3cn[nH]c3C(F)(F)F)nc3c(F)cc4[nH]ncc4c23)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])Cc2c(c(-c3cn[nH]c3C(F)(F)F)nc3ccc4n[nH]c(C)c4c23)C([2H])([2H])C1([2H])[2H]
• InChI: InChI=1S/C26H20N6O2.C23H22BN3O2.C19H16F3N5.C18H13F4N5.C15H8F3N5O2/c33-25-16-7-3-4-8-17(16)26(34)32(25)13-22-19(12-28-31-22)24-15-6-2-1-5-14(15)23-18-11-27-30-20(18)9-10-21(23)29-24;1-23(2)17-11-13(7-8-18(17)24(28)29-23)22-15-6-4-3-5-14(15)21-16-12-25-27-19(16)9-10-20(21)26-22;1-9-15-14(26-25-9)7-6-13-16(15)10-4-2-3-5-11(10)17(24-13)12-8-23-27-18(12)19(20,21)22;19-12-5-13-10(6-23-26-13)14-8-3-1-2-4-9(8)15(25-16(12)14)11-7-24-27-17(11)18(20,21)22;16-15(17,18)14-8(5-20-23-14)11-3-12(25-6-24)13-7-4-19-22-9(7)1-2-10(13)21-11/h3-4,7-12H,1-2,5-6,13H2,(H,27,30)(H,28,31);7-12,28H,3-6H2,1-2H3,(H,25,27);6-8H,2-5H2,1H3,(H,23,27)(H,25,26);5-7H,1-4H2,(H,23,26)(H,24,27);1-6H,(H,19,22)(H,20,23)/i;;2D2,3D2,5D2;1D2,2D2,4D2
• InChIKey: FILNHUZKYZPMFH-LTVYCCRQSA-N
• XLogP: 20.09
• TPSA: 415.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.77
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?

The IUPAC name of 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate (CID 158041946) is 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate.

What is the SMILES notation for 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?

The canonical SMILES for 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate is CC1(C)OB(O)c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C1c2ccccc2C(=O)N1Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.O=COc1cc(-c2cn[nH]c2C(F)(F)F)nc2ccc3[nH]ncc3c12.[2H]C1([2H])Cc2c(c(-c3cn[nH]c3C(F)(F)F)nc3c(F)cc4[nH]ncc4c23)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])Cc2c(c(-c3cn[nH]c3C(F)(F)F)nc3ccc4n[nH]c(C)c4c23)C([2H])([2H])C1([2H])[2H].

What is the InChIKey of 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?

The InChIKey is FILNHUZKYZPMFH-LTVYCCRQSA-N. The full InChI is InChI=1S/C26H20N6O2.C23H22BN3O2.C19H16F3N5.C18H13F4N5.C15H8F3N5O2/c33-25-16-7-3-4-8-17(16)26(34)32(25)13-22-19(12-28-31-22)24-15-6-2-1-5-14(15)23-18-11-27-30-20(18)9-10-21(23)29-24;1-23(2)17-11-13(7-8-18(17)24(28)29-23)22-15-6-4-3-5-14(15)21-16-12-25-27-19(16)9-10-20(21)26-22;1-9-15-14(26-25-9)7-6-13-16(15)10-4-2-3-5-11(10)17(24-13)12-8-23-27-18(12)19(20,21)22;19-12-5-13-10(6-23-26-13)14-8-3-1-2-4-9(8)15(25-16(12)14)11-7-24-27-17(11)18(20,21)22;16-15(17,18)14-8(5-20-23-14)11-3-12(25-6-24)13-7-4-19-22-9(7)1-2-10(13)21-11/h3-4,7-12H,1-2,5-6,13H2,(H,27,30)(H,28,31);7-12,28H,3-6H2,1-2H3,(H,25,27);6-8H,2-5H2,1H3,(H,23,27)(H,25,26);5-7H,1-4H2,(H,23,26)(H,24,27);1-6H,(H,19,22)(H,20,23)/i;;2D2,3D2,5D2;1D2,2D2,4D2;.

What are the key properties of 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?

8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate has a molecular weight of 1937.77 g/mol, XLogP of 20.09, 9 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,9,9,10,10-hexadeuterio-5-fluoro-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3,11-dihydropyrazolo[4,3-a]phenanthridine;8,8,9,9,10,10-hexadeuterio-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,11-dihydropyrazolo[4,3-a]phenanthridine;7-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1H-pyrazol-5-yl]methyl]isoindole-1,3-dione;[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl] formate is sourced from PubChem (CID 158041946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).