4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid

C101H86B3F2N17O7 — CID 157172897

About 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid

4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid (PubChem CID 157172897) has the molecular formula C101H86B3F2N17O7 and a molecular weight of 1720.34 g/mol. Its IUPAC name is 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid.

Molecular Properties

• Compound Name: 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid
• PubChem CID: 157172897
• Molecular Formula: C101H86B3F2N17O7
• Molecular Weight: 1720.34 g/mol
• Exact Mass: 1719.71
• IUPAC Name: 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid
• SMILES: N#Cc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.NC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1F
• InChI: InChI=1S/C21H16N4.2C20H17BFN3O2.C20H18BN3O2.C20H18N4O/c22-11-13-5-7-14(8-6-13)21-16-4-2-1-3-15(16)20-17-12-23-25-18(17)9-10-19(20)24-21;22-19-13(6-3-7-15(19)21(26)27)20-12-5-2-1-4-11(12)18-14-10-23-25-16(14)8-9-17(18)24-20;22-16-9-11(5-6-15(16)21(26)27)20-13-4-2-1-3-12(13)19-14-10-23-25-17(14)7-8-18(19)24-20;25-21(26)13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-22-24-17(16)9-10-18(19)23-20;21-12-3-6-14-15(9-12)20(11-1-4-13(25)5-2-11)23-18-8-7-17-16(19(14)18)10-22-24-17/h5-10,12H,1-4H2,(H,23,25);3,6-10,26-27H,1-2,4-5H2,(H,23,25);5-10,26-27H,1-4H2,(H,23,25);5-11,25-26H,1-4H2,(H,22,24);1-2,4-5,7-8,10,12,25H,3,6,9,21H2,(H,22,24)
• InChIKey: ANRFXUZXZZOWPW-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 399.27 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1720.34
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid?

The IUPAC name of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid (CID 157172897) is 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid.

What is the SMILES notation for 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid?

The canonical SMILES for 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid is N#Cc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.NC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1F.

What is the InChIKey of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid?

The InChIKey is ANRFXUZXZZOWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4.2C20H17BFN3O2.C20H18BN3O2.C20H18N4O/c22-11-13-5-7-14(8-6-13)21-16-4-2-1-3-15(16)20-17-12-23-25-18(17)9-10-19(20)24-21;22-19-13(6-3-7-15(19)21(26)27)20-12-5-2-1-4-11(12)18-14-10-23-25-16(14)8-9-17(18)24-20;22-16-9-11(5-6-15(16)21(26)27)20-13-4-2-1-3-12(13)19-14-10-23-25-17(14)7-8-18(19)24-20;25-21(26)13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-22-24-17(16)9-10-18(19)23-20;21-12-3-6-14-15(9-12)20(11-1-4-13(25)5-2-11)23-18-8-7-17-16(19(14)18)10-22-24-17/h5-10,12H,1-4H2,(H,23,25);3,6-10,26-27H,1-2,4-5H2,(H,23,25);5-10,26-27H,1-4H2,(H,23,25);5-11,25-26H,1-4H2,(H,22,24);1-2,4-5,7-8,10,12,25H,3,6,9,21H2,(H,22,24).

What are the key properties of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid?

4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid has a molecular weight of 1720.34 g/mol, XLogP of 15.12, 8 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;[2-fluoro-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;[2-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile;[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid is sourced from PubChem (CID 157172897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).