2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid

C105H89FIN17O5 — CID 163421653

About 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid

2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid (PubChem CID 163421653) has the molecular formula C105H89FIN17O5 and a molecular weight of 1814.88 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid.

Molecular Properties

• Compound Name: 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid
• PubChem CID: 163421653
• Molecular Formula: C105H89FIN17O5
• Molecular Weight: 1814.88 g/mol
• Exact Mass: 1813.63
• IUPAC Name: 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid
• SMILES: CN(C)Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1O.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.N#CC1CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.O=C(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1I
• InChI: InChI=1S/C23H24N4O.C22H17N3O.C21H17N3O2.C20H16IN3O.C19H15FN4/c1-27(2)13-15-11-14(7-10-21(15)28)23-17-6-4-3-5-16(17)22-18-12-24-26-19(18)8-9-20(22)25-23;23-12-13-1-6-16-18(11-13)22(14-2-4-15(26)5-3-14)25-20-8-7-19-17(21(16)20)9-10-24-19;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;21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20;20-17-8-5-11(9-21-17)19-13-4-2-1-3-12(13)18-14-10-22-24-15(14)6-7-16(18)23-19/h7-12,28H,3-6,13H2,1-2H3,(H,24,26);2-5,7-10,13,25-26H,1,6,11H2;5-11H,1-4H2,(H,22,24)(H,25,26);5-10,25H,1-4H2,(H,22,24);5-10H,1-4H2,(H,22,24)
• InChIKey: WWGWZYALGWRFGR-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 332.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1814.88
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid?

The IUPAC name of 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid (CID 163421653) is 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid.

What is the SMILES notation for 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid?

The canonical SMILES for 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid is CN(C)Cc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1O.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.N#CC1CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.O=C(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1I.

What is the InChIKey of 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid?

The InChIKey is WWGWZYALGWRFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C22H17N3O.C21H17N3O2.C20H16IN3O.C19H15FN4/c1-27(2)13-15-11-14(7-10-21(15)28)23-17-6-4-3-5-16(17)22-18-12-24-26-19(18)8-9-20(22)25-23;23-12-13-1-6-16-18(11-13)22(14-2-4-15(26)5-3-14)25-20-8-7-19-17(21(16)20)9-10-24-19;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;21-15-9-11(5-8-18(15)25)20-13-4-2-1-3-12(13)19-14-10-22-24-16(14)6-7-17(19)23-20;20-17-8-5-11(9-21-17)19-13-4-2-1-3-12(13)18-14-10-22-24-15(14)6-7-16(18)23-19/h7-12,28H,3-6,13H2,1-2H3,(H,24,26);2-5,7-10,13,25-26H,1,6,11H2;5-11H,1-4H2,(H,22,24)(H,25,26);5-10,25H,1-4H2,(H,22,24);5-10H,1-4H2,(H,22,24).

What are the key properties of 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid?

2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid has a molecular weight of 1814.88 g/mol, XLogP of 22.65, 8 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(dimethylamino)methyl]-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-iodo-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzoic acid is sourced from PubChem (CID 163421653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).