N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol

C121H128N32O — CID 157060444

About N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol

N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol (PubChem CID 157060444) has the molecular formula C121H128N32O and a molecular weight of 2046.58 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol
• PubChem CID: 157060444
• Molecular Formula: C121H128N32O
• Molecular Weight: 2046.58 g/mol
• Exact Mass: 2045.09
• IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol
• SMILES: CN1CCN(c2ccc(Nc3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)CC1.CN1CCN(c2ncc(Nc3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc3)cn2)CC1.CN1CCN(c2ncc(Nc3nc4ccc5[nH]ncc5c4c4c3CCCC4)cn2)CC1.OCCN1CCN(c2nc3ccc4[nH]ncc4c3c3c2CCCC3)CC1.c1cnc(-c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)nc1
• InChI: InChI=1S/C29H30N8.C25H28N6.C24H19N5.C23H26N8.C20H25N5O/c1-36-12-14-37(15-13-36)29-30-16-21(17-31-29)33-20-8-6-19(7-9-20)28-23-5-3-2-4-22(23)27-24-18-32-35-25(24)10-11-26(27)34-28;1-30-12-14-31(15-13-30)18-8-6-17(7-9-18)27-25-20-5-3-2-4-19(20)24-21-16-26-29-22(21)10-11-23(24)28-25;1-2-5-18-17(4-1)22-19-14-27-29-20(19)10-11-21(22)28-23(18)15-6-8-16(9-7-15)24-25-12-3-13-26-24;1-30-8-10-31(11-9-30)23-24-12-15(13-25-23)27-22-17-5-3-2-4-16(17)21-18-14-26-29-19(18)6-7-20(21)28-22;26-12-11-24-7-9-25(10-8-24)20-15-4-2-1-3-14(15)19-16-13-21-23-17(16)5-6-18(19)22-20/h6-11,16-18,33H,2-5,12-15H2,1H3,(H,32,35);6-11,16H,2-5,12-15H2,1H3,(H,26,29)(H,27,28);3,6-14H,1-2,4-5H2,(H,27,29);6-7,12-14H,2-5,8-11H2,1H3,(H,26,29)(H,27,28);5-6,13,26H,1-4,7-12H2,(H,21,23)
• InChIKey: ABGSBIVRKJPNMO-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 367.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.58
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol?

The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol (CID 157060444) is N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol.

What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol?

The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol is CN1CCN(c2ccc(Nc3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)CC1.CN1CCN(c2ncc(Nc3ccc(-c4nc5ccc6[nH]ncc6c5c5c4CCCC5)cc3)cn2)CC1.CN1CCN(c2ncc(Nc3nc4ccc5[nH]ncc5c4c4c3CCCC4)cn2)CC1.OCCN1CCN(c2nc3ccc4[nH]ncc4c3c3c2CCCC3)CC1.c1cnc(-c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)nc1.

What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol?

The InChIKey is ABGSBIVRKJPNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8.C25H28N6.C24H19N5.C23H26N8.C20H25N5O/c1-36-12-14-37(15-13-36)29-30-16-21(17-31-29)33-20-8-6-19(7-9-20)28-23-5-3-2-4-22(23)27-24-18-32-35-25(24)10-11-26(27)34-28;1-30-12-14-31(15-13-30)18-8-6-17(7-9-18)27-25-20-5-3-2-4-19(20)24-21-16-26-29-22(21)10-11-23(24)28-25;1-2-5-18-17(4-1)22-19-14-27-29-20(19)10-11-21(22)28-23(18)15-6-8-16(9-7-15)24-25-12-3-13-26-24;1-30-8-10-31(11-9-30)23-24-12-15(13-25-23)27-22-17-5-3-2-4-16(17)21-18-14-26-29-19(18)6-7-20(21)28-22;26-12-11-24-7-9-25(10-8-24)20-15-4-2-1-3-14(15)19-16-13-21-23-17(16)5-6-18(19)22-20/h6-11,16-18,33H,2-5,12-15H2,1H3,(H,32,35);6-11,16H,2-5,12-15H2,1H3,(H,26,29)(H,27,28);3,6-14H,1-2,4-5H2,(H,27,29);6-7,12-14H,2-5,8-11H2,1H3,(H,26,29)(H,27,28);5-6,13,26H,1-4,7-12H2,(H,21,23).

What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol?

N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol has a molecular weight of 2046.58 g/mol, XLogP of 19.92, 15 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-amine;2-(4-methylpiperazin-1-yl)-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]pyrimidin-5-amine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 157060444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).