7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol

C101H79N19O4 — CID 158687587

About 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol

7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol (PubChem CID 158687587) has the molecular formula C101H79N19O4 and a molecular weight of 1622.87 g/mol. Its IUPAC name is 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol.

Molecular Properties

• Compound Name: 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol
• PubChem CID: 158687587
• Molecular Formula: C101H79N19O4
• Molecular Weight: 1622.87 g/mol
• Exact Mass: 1621.66
• IUPAC Name: 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol
• SMILES: C1=NCc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C1Cc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2N1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCO3)cc1.c1cc2cn[nH]c2cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
• InChI: InChI=1S/C22H18N4O.C22H18N4.C21H17N5.C18H13N3O2.C18H13N3O/c27-20-10-12-5-6-13(9-19(12)24-20)22-15-4-2-1-3-14(15)21-16-11-23-26-17(16)7-8-18(21)25-22;1-2-4-17-16(3-1)21-18-12-24-26-19(18)7-8-20(21)25-22(17)13-5-6-14-10-23-11-15(14)9-13;1-2-4-15-14(3-1)20-16-11-23-25-17(16)7-8-18(20)24-21(15)12-5-6-13-10-22-26-19(13)9-12;22-11-3-1-10(2-4-11)17-12-7-8-23-18(12)16-13-9-19-21-14(13)5-6-15(16)20-17;22-11-3-1-10(2-4-11)18-13-6-5-12(13)17-14-9-19-21-15(14)7-8-16(17)20-18/h5-9,11H,1-4,10H2,(H,23,26)(H,24,27);5-9,11-12H,1-4,10H2,(H,24,26);5-11H,1-4H2,(H,22,26)(H,23,25);1-6,9,22H,7-8H2,(H,19,21);1-4,7-9,22H,5-6H2,(H,19,21)
• InChIKey: IFXYBUJVWMMQAY-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 327.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1622.87
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?

The IUPAC name of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol (CID 158687587) is 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol.

What is the SMILES notation for 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?

The canonical SMILES for 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol is C1=NCc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C1Cc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2N1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCO3)cc1.c1cc2cn[nH]c2cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.

What is the InChIKey of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?

The InChIKey is IFXYBUJVWMMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C22H18N4.C21H17N5.C18H13N3O2.C18H13N3O/c27-20-10-12-5-6-13(9-19(12)24-20)22-15-4-2-1-3-14(15)21-16-11-23-26-17(16)7-8-18(21)25-22;1-2-4-17-16(3-1)21-18-12-24-26-19(18)7-8-20(21)25-22(17)13-5-6-14-10-23-11-15(14)9-13;1-2-4-15-14(3-1)20-16-11-23-25-17(16)7-8-18(20)24-21(15)12-5-6-13-10-22-26-19(13)9-12;22-11-3-1-10(2-4-11)17-12-7-8-23-18(12)16-13-9-19-21-14(13)5-6-15(16)20-17;22-11-3-1-10(2-4-11)18-13-6-5-12(13)17-14-9-19-21-15(14)7-8-16(17)20-18/h5-9,11H,1-4,10H2,(H,23,26)(H,24,27);5-9,11-12H,1-4,10H2,(H,24,26);5-11H,1-4H2,(H,22,26)(H,23,25);1-6,9,22H,7-8H2,(H,19,21);1-4,7-9,22H,5-6H2,(H,19,21).

What are the key properties of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?

7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol has a molecular weight of 1622.87 g/mol, XLogP of 20.27, 5 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol is sourced from PubChem (CID 158687587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).