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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile

C122H103BFN25O3 — CID 158078443

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile (PubChem CID 158078443) has the molecular formula C122H103BFN25O3 and a molecular weight of 1997.15 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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile.

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile
• PubChem CID: 158078443
• Molecular Formula: C122H103BFN25O3
• Molecular Weight: 1997.15 g/mol
• Exact Mass: 1995.88
• 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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile
• SMILES: C1=Nc2cc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)ccc2C1.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.N#Cc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.NC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1F.c1cnc2c(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)c[nH]c2c1
• InChI: InChI=1S/C22H18N4.C21H17N5.C21H16N4.C20H17BFN3O2.C20H18N4O.C18H17N5/c1-2-4-16-15(3-1)21-17-12-24-26-18(17)7-8-19(21)25-22(16)14-6-5-13-9-10-23-20(13)11-14;1-2-5-13-12(4-1)19-14-11-24-26-16(14)7-8-17(19)25-20(13)15-10-23-18-6-3-9-22-21(15)18;22-11-13-5-7-14(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;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;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18/h5-8,10-12H,1-4,9H2,(H,24,26);3,6-11,23H,1-2,4-5H2,(H,24,26);5-10,12H,1-4H2,(H,23,25);3,6-10,26-27H,1-2,4-5H2,(H,23,25);1-2,4-5,7-8,10,12,25H,3,6,9,21H2,(H,22,24);6-9H,2-5H2,1H3,(H,19,22)(H,20,23)
• InChIKey: FMQQHBAMHLXXBG-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 429.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.15
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile?

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile (CID 158078443) 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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile.

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile?

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile is C1=Nc2cc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)ccc2C1.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.N#Cc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.NC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.OB(O)c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1F.c1cnc2c(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)c[nH]c2c1.

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile?

The InChIKey is FMQQHBAMHLXXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4.C21H17N5.C21H16N4.C20H17BFN3O2.C20H18N4O.C18H17N5/c1-2-4-16-15(3-1)21-17-12-24-26-18(17)7-8-19(21)25-22(16)14-6-5-13-9-10-23-20(13)11-14;1-2-5-13-12(4-1)19-14-11-24-26-16(14)7-8-17(19)25-20(13)15-10-23-18-6-3-9-22-21(15)18;22-11-13-5-7-14(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;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;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18/h5-8,10-12H,1-4,9H2,(H,24,26);3,6-11,23H,1-2,4-5H2,(H,24,26);5-10,12H,1-4H2,(H,23,25);3,6-10,26-27H,1-2,4-5H2,(H,23,25);1-2,4-5,7-8,10,12,25H,3,6,9,21H2,(H,22,24);6-9H,2-5H2,1H3,(H,19,22)(H,20,23).

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile?

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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile has a molecular weight of 1997.15 g/mol, XLogP of 23.44, 7 rotatable bonds, 12 hydrogen bond donors, and 20 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;7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzonitrile is sourced from PubChem (CID 158078443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).