3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C105H87ClFN19O2 — CID 162220857

About 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 162220857) has the molecular formula C105H87ClFN19O2 and a molecular weight of 1701.43 g/mol. Its IUPAC name is 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

• Compound Name: 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
• PubChem CID: 162220857
• Molecular Formula: C105H87ClFN19O2
• Molecular Weight: 1701.43 g/mol
• Exact Mass: 1699.70
• IUPAC Name: 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
• SMILES: Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Oc1cc(F)cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(Cl)c1.c1ccc2c(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)nccc2c1.c1ccc2ncc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2c1
• InChI: InChI=1S/2C23H18N4.C20H16ClN3O.C20H16FN3O.C19H19N5/c1-4-8-19-14(5-1)11-15(12-24-19)23-17-7-3-2-6-16(17)22-18-13-25-27-20(18)9-10-21(22)26-23;1-2-6-15-14(5-1)11-12-24-22(15)23-17-8-4-3-7-16(17)21-18-13-25-27-19(18)9-10-20(21)26-23;21-16-9-11(25)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-22-24-17(15)7-8-18(19)23-20;21-12-7-11(8-13(25)9-12)20-15-4-2-1-3-14(15)19-16-10-22-24-17(16)5-6-18(19)23-20;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16/h1,4-5,8-13H,2-3,6-7H2,(H,25,27);1-2,5-6,9-13H,3-4,7-8H2,(H,25,27);2*5-10,25H,1-4H2,(H,22,24);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24)
• InChIKey: ZUCGOIMNZJXIKV-UHFFFAOYSA-N
• XLogP: 23.92
• TPSA: 302.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1701.43
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?

The IUPAC name of 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 162220857) is 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

What is the SMILES notation for 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?

The canonical SMILES for 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Oc1cc(F)cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(Cl)c1.c1ccc2c(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)nccc2c1.c1ccc2ncc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2c1.

What is the InChIKey of 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?

The InChIKey is ZUCGOIMNZJXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18N4.C20H16ClN3O.C20H16FN3O.C19H19N5/c1-4-8-19-14(5-1)11-15(12-24-19)23-17-7-3-2-6-16(17)22-18-13-25-27-20(18)9-10-21(22)26-23;1-2-6-15-14(5-1)11-12-24-22(15)23-17-8-4-3-7-16(17)21-18-13-25-27-19(18)9-10-20(21)26-23;21-16-9-11(25)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-22-24-17(15)7-8-18(19)23-20;21-12-7-11(8-13(25)9-12)20-15-4-2-1-3-14(15)19-16-10-22-24-17(16)5-6-18(19)23-20;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16/h1,4-5,8-13H,2-3,6-7H2,(H,25,27);1-2,5-6,9-13H,3-4,7-8H2,(H,25,27);2*5-10,25H,1-4H2,(H,22,24);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24).

What are the key properties of 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?

3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 1701.43 g/mol, XLogP of 23.92, 5 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;3-fluoro-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-isoquinolin-1-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-quinolin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 162220857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).