2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile

C105H86FN15O6 — CID 161189744

About 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile

2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile (PubChem CID 161189744) has the molecular formula C105H86FN15O6 and a molecular weight of 1672.94 g/mol. Its IUPAC name is 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile
• PubChem CID: 161189744
• Molecular Formula: C105H86FN15O6
• Molecular Weight: 1672.94 g/mol
• Exact Mass: 1671.69
• IUPAC Name: 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile
• SMILES: COC(=O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Cc1[nH]nc2ccc3nc(-c4ccc(O)c(F)c4)c4c(c3c12)CCCC4.N#Cc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.NC(=O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCO3)cc1
• InChI: InChI=1S/C22H19N3O2.C22H17N3.C21H18FN3O.C21H18N4O.C19H14N2O2/c1-27-22(26)14-8-6-13(7-9-14)21-16-5-3-2-4-15(16)20-17-12-23-25-18(17)10-11-19(20)24-21;23-13-14-5-7-15(8-6-14)22-17-4-2-1-3-16(17)21-18-11-12-24-19(18)9-10-20(21)25-22;1-11-19-17(25-24-11)8-7-16-20(19)13-4-2-3-5-14(13)21(23-16)12-6-9-18(26)15(22)10-12;22-21(26)13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-23-25-17(16)9-10-18(19)24-20;22-12-3-1-11(2-4-12)18-14-8-10-23-19(14)17-13-7-9-20-15(13)5-6-16(17)21-18/h6-12H,2-5H2,1H3,(H,23,25);5-12,25H,1-4H2;6-10,26H,2-5H2,1H3,(H,24,25);5-11H,1-4H2,(H2,22,26)(H,23,25);1-7,9,21-22H,8,10H2
• InChIKey: GGTLFTXYNVLJJD-UHFFFAOYSA-N
• XLogP: 22.17
• TPSA: 324.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1672.94
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile?

The IUPAC name of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile (CID 161189744) is 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile.

What is the SMILES notation for 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile?

The canonical SMILES for 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile is COC(=O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Cc1[nH]nc2ccc3nc(-c4ccc(O)c(F)c4)c4c(c3c12)CCCC4.N#Cc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.NC(=O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCO3)cc1.

What is the InChIKey of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile?

The InChIKey is GGTLFTXYNVLJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.C22H17N3.C21H18FN3O.C21H18N4O.C19H14N2O2/c1-27-22(26)14-8-6-13(7-9-14)21-16-5-3-2-4-15(16)20-17-12-23-25-18(17)10-11-19(20)24-21;23-13-14-5-7-15(8-6-14)22-17-4-2-1-3-16(17)21-18-11-12-24-19(18)9-10-20(21)25-22;1-11-19-17(25-24-11)8-7-16-20(19)13-4-2-3-5-14(13)21(23-16)12-6-9-18(26)15(22)10-12;22-21(26)13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-23-25-17(16)9-10-18(19)24-20;22-12-3-1-11(2-4-12)18-14-8-10-23-19(14)17-13-7-9-20-15(13)5-6-16(17)21-18/h6-12H,2-5H2,1H3,(H,23,25);5-12,25H,1-4H2;6-10,26H,2-5H2,1H3,(H,24,25);5-11H,1-4H2,(H2,22,26)(H,23,25);1-7,9,21-22H,8,10H2.

What are the key properties of 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile?

2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile has a molecular weight of 1672.94 g/mol, XLogP of 22.17, 7 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-(1-methyl-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;methyl 4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoate;4-(3-oxa-8,13-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1,6,9,11,13,15-hexaen-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzonitrile is sourced from PubChem (CID 161189744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).