5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine

C74H89N19O5 — CID 157313320

About 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine

5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine (PubChem CID 157313320) has the molecular formula C74H89N19O5 and a molecular weight of 1324.65 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine.

Molecular Properties

• Compound Name: 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
• PubChem CID: 157313320
• Molecular Formula: C74H89N19O5
• Molecular Weight: 1324.65 g/mol
• Exact Mass: 1323.73
• IUPAC Name: 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
• SMILES: Cc1[nH]ncc1-c1nc2c(OCCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2
• InChI: InChI=1S/C25H31N7O.C25H30N6O2.C24H28N6O2/c1-16-19(14-26-29-16)24-18-6-4-3-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-12-11-32-9-7-31(2)8-10-32;1-16-19(14-26-29-16)24-18-6-3-2-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-10-4-7-31-8-11-32-12-9-31;1-15-18(13-25-28-15)23-17-5-3-2-4-16(17)22-19-14-26-29-20(19)12-21(24(22)27-23)32-11-8-30-6-9-31-10-7-30/h13-15H,3-12H2,1-2H3,(H,26,29)(H,27,30);13-15H,2-12H2,1H3,(H,26,29)(H,27,30);12-14H,2-11H2,1H3,(H,25,28)(H,26,29)
• InChIKey: BDHFRKUXULFYKE-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 269.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1324.65
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?

The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine (CID 157313320) is 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine.

What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?

The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine is Cc1[nH]ncc1-c1nc2c(OCCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCN(C)CC3)cc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2c(OCCN3CCOCC3)cc3[nH]ncc3c2c2c1CCCC2.

What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?

The InChIKey is BDHFRKUXULFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O.C25H30N6O2.C24H28N6O2/c1-16-19(14-26-29-16)24-18-6-4-3-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-12-11-32-9-7-31(2)8-10-32;1-16-19(14-26-29-16)24-18-6-3-2-5-17(18)23-20-15-27-30-21(20)13-22(25(23)28-24)33-10-4-7-31-8-11-32-12-9-31;1-15-18(13-25-28-15)23-17-5-3-2-4-16(17)22-19-14-26-29-20(19)12-21(24(22)27-23)32-11-8-30-6-9-31-10-7-30/h13-15H,3-12H2,1-2H3,(H,26,29)(H,27,30);13-15H,2-12H2,1H3,(H,26,29)(H,27,30);12-14H,2-11H2,1H3,(H,25,28)(H,26,29).

What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine?

5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine has a molecular weight of 1324.65 g/mol, XLogP of 10.50, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine is sourced from PubChem (CID 157313320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).