ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol

C101H90N12O7 — CID 160691775

About ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol

ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol (PubChem CID 160691775) has the molecular formula C101H90N12O7 and a molecular weight of 1583.91 g/mol. Its IUPAC name is ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol.

Molecular Properties

• Compound Name: ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol
• PubChem CID: 160691775
• Molecular Formula: C101H90N12O7
• Molecular Weight: 1583.91 g/mol
• Exact Mass: 1582.71
• IUPAC Name: ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol
• SMILES: CCOC(=O)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.OCCn1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.Oc1ccc(-c2[nH]c3c(ccc4ccnc43)c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccccc3c3c2CCCC3)cc1.[C-]#[N+]c1cnc2ccc3[nH]c(-c4ccc(O)cc4)c4c(c3c12)CCCC4
• InChI: InChI=1S/C22H21N3O2.C22H17N3O.C21H18N2O.C19H17NO.C17H17N3O2/c26-12-11-25-20-10-9-19-21(18(20)13-23-25)16-3-1-2-4-17(16)22(24-19)14-5-7-15(27)8-6-14;1-23-19-12-24-17-10-11-18-20(21(17)19)15-4-2-3-5-16(15)22(25-18)13-6-8-14(26)9-7-13;24-15-8-5-13(6-9-15)19-17-4-2-1-3-16(17)18-10-7-14-11-12-22-20(14)21(18)23-19;21-14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)20-19;1-2-22-17(21)16-11-6-4-3-5-10(11)15-12-9-18-20-13(12)7-8-14(15)19-16/h5-10,13,26-27H,1-4,11-12H2;6-12,25-26H,2-5H2;5-12,23-24H,1-4H2;3-4,6,8-12,21H,1-2,5,7H2;7-9H,2-6H2,1H3,(H,18,20)
• InChIKey: LKHALRGFPJUWBN-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 274.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1583.91
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol?

The IUPAC name of ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol (CID 160691775) is ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol.

What is the SMILES notation for ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol?

The canonical SMILES for ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol is CCOC(=O)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.OCCn1ncc2c3c4c(c(-c5ccc(O)cc5)nc3ccc21)CCCC4.Oc1ccc(-c2[nH]c3c(ccc4ccnc43)c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccccc3c3c2CCCC3)cc1.[C-]#[N+]c1cnc2ccc3[nH]c(-c4ccc(O)cc4)c4c(c3c12)CCCC4.

What is the InChIKey of ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol?

The InChIKey is LKHALRGFPJUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C22H17N3O.C21H18N2O.C19H17NO.C17H17N3O2/c26-12-11-25-20-10-9-19-21(18(20)13-23-25)16-3-1-2-4-17(16)22(24-19)14-5-7-15(27)8-6-14;1-23-19-12-24-17-10-11-18-20(21(17)19)15-4-2-3-5-16(15)22(25-18)13-6-8-14(26)9-7-13;24-15-8-5-13(6-9-15)19-17-4-2-1-3-16(17)18-10-7-14-11-12-22-20(14)21(18)23-19;21-14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)20-19;1-2-22-17(21)16-11-6-4-3-5-10(11)15-12-9-18-20-13(12)7-8-14(15)19-16/h5-10,13,26-27H,1-4,11-12H2;6-12,25-26H,2-5H2;5-12,23-24H,1-4H2;3-4,6,8-12,21H,1-2,5,7H2;7-9H,2-6H2,1H3,(H,18,20).

What are the key properties of ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol?

ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol has a molecular weight of 1583.91 g/mol, XLogP of 21.97, 8 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;4-[3-(2-hydroxyethyl)-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-(1-isocyano-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(7,8,9,10-tetrahydrophenanthridin-6-yl)phenol;4-(6,7,8,9-tetrahydro-4H-pyrrolo[3,2-c]phenanthridin-5-yl)phenol is sourced from PubChem (CID 160691775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).