2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol

C106H95N19O7S — CID 161296800

About 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol

2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol (PubChem CID 161296800) has the molecular formula C106H95N19O7S and a molecular weight of 1779.12 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol.

Molecular Properties

• Compound Name: 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol
• PubChem CID: 161296800
• Molecular Formula: C106H95N19O7S
• Molecular Weight: 1779.12 g/mol
• Exact Mass: 1777.74
• IUPAC Name: 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol
• SMILES: CC(=O)NC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.Nc1nc2cc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)ccc2s1.OCCN(CCO)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3c(ccc4[nH]ncc43)c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2COCC3)cc1
• InChI: InChI=1S/C24H26N4O2.C22H20N4O2.C21H17N5S.C20H17N3O.C19H15N3O2/c29-13-11-28(12-14-30)17-7-5-16(6-8-17)24-19-4-2-1-3-18(19)23-20-15-25-27-21(20)9-10-22(23)26-24;1-12(27)24-14-4-7-16-17(10-14)22(13-2-5-15(28)6-3-13)25-20-9-8-19-18(21(16)20)11-23-26-19;22-21-25-17-9-11(5-8-18(17)27-21)20-13-4-2-1-3-12(13)19-14-10-23-26-15(14)6-7-16(19)24-20;24-13-7-5-12(6-8-13)19-15-4-2-1-3-14(15)16-9-10-18-17(11-21-23-18)20(16)22-19;23-12-3-1-11(2-4-12)19-15-10-24-8-7-13(15)18-14-9-20-22-16(14)5-6-17(18)21-19/h5-10,15,29-30H,1-4,11-14H2,(H,25,27);2-3,5-6,8-9,11,14,28H,4,7,10H2,1H3,(H,23,26)(H,24,27);5-10H,1-4H2,(H2,22,25)(H,23,26);5-11,24H,1-4H2,(H,21,23);1-6,9,23H,7-8,10H2,(H,20,22)
• InChIKey: VHBTUPNDJLCLBG-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 389.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1779.12
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol?

The IUPAC name of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol (CID 161296800) is 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol.

What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol?

The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol is CC(=O)NC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.Nc1nc2cc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)ccc2s1.OCCN(CCO)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Oc1ccc(-c2nc3c(ccc4[nH]ncc43)c3c2CCCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2COCC3)cc1.

What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol?

The InChIKey is VHBTUPNDJLCLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C22H20N4O2.C21H17N5S.C20H17N3O.C19H15N3O2/c29-13-11-28(12-14-30)17-7-5-16(6-8-17)24-19-4-2-1-3-18(19)23-20-15-25-27-21(20)9-10-22(23)26-24;1-12(27)24-14-4-7-16-17(10-14)22(13-2-5-15(28)6-3-13)25-20-9-8-19-18(21(16)20)11-23-26-19;22-21-25-17-9-11(5-8-18(17)27-21)20-13-4-2-1-3-12(13)19-14-10-23-26-15(14)6-7-16(19)24-20;24-13-7-5-12(6-8-13)19-15-4-2-1-3-14(15)16-9-10-18-17(11-21-23-18)20(16)22-19;23-12-3-1-11(2-4-12)19-15-10-24-8-7-13(15)18-14-9-20-22-16(14)5-6-17(18)21-19/h5-10,15,29-30H,1-4,11-14H2,(H,25,27);2-3,5-6,8-9,11,14,28H,4,7,10H2,1H3,(H,23,26)(H,24,27);5-10H,1-4H2,(H2,22,25)(H,23,26);5-11,24H,1-4H2,(H,21,23);1-6,9,23H,7-8,10H2,(H,20,22).

What are the key properties of 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol?

2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol has a molecular weight of 1779.12 g/mol, XLogP of 19.69, 11 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol;N-[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-yl]acetamide;4-(5-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17),15-hexaen-8-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-benzothiazol-2-amine;4-(6,7,8,9-tetrahydro-1H-pyrazolo[5,4-c]phenanthridin-5-yl)phenol is sourced from PubChem (CID 161296800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).