[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone

C76H88N20O4 — CID 163917843

About [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone

[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone (PubChem CID 163917843) has the molecular formula C76H88N20O4 and a molecular weight of 1345.68 g/mol. Its IUPAC name is [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone
• PubChem CID: 163917843
• Molecular Formula: C76H88N20O4
• Molecular Weight: 1345.68 g/mol
• Exact Mass: 1344.73
• IUPAC Name: [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone
• SMILES: Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC(N5CCN(C)CC5)CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCCCC4)c3c2c2c1CCCC2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1)C1=CCCCC1
• InChI: InChI=1S/C29H36N8O.C24H26N6O.C23H26N6O2/c1-18-22(17-30-32-18)27-21-6-4-3-5-20(21)25-23(31-27)7-8-24-26(25)28(34-33-24)29(38)37-11-9-19(10-12-37)36-15-13-35(2)14-16-36;1-14-17(13-25-27-14)22-16-8-4-3-7-15(16)20-18(26-22)9-10-19-21(20)23(29-28-19)24(31)30-11-5-2-6-12-30;1-15-19(14-24-26-15)21(16-5-3-2-4-6-16)25-17-7-8-20-18(13-17)22(28-27-20)23(30)29-9-11-31-12-10-29/h7-8,17,19H,3-6,9-16H2,1-2H3,(H,30,32)(H,33,34);9-10,13H,2-8,11-12H2,1H3,(H,25,27)(H,28,29);5,7-8,13-14H,2-4,6,9-12H2,1H3,(H,24,26)(H,27,28)/b;;25-21+
• InChIKey: QXUODNXPBCHEAV-WRBLFMFUSA-N
• XLogP: 11.54
• TPSA: 286.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1345.68
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone?

The IUPAC name of [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone (CID 163917843) is [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone is Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC(N5CCN(C)CC5)CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCCCC4)c3c2c2c1CCCC2.Cc1[nH]ncc1/C(=N/c1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1)C1=CCCCC1.

What is the InChIKey of [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone?

The InChIKey is QXUODNXPBCHEAV-WRBLFMFUSA-N. The full InChI is InChI=1S/C29H36N8O.C24H26N6O.C23H26N6O2/c1-18-22(17-30-32-18)27-21-6-4-3-5-20(21)25-23(31-27)7-8-24-26(25)28(34-33-24)29(38)37-11-9-19(10-12-37)36-15-13-35(2)14-16-36;1-14-17(13-25-27-14)22-16-8-4-3-7-15(16)20-18(26-22)9-10-19-21(20)23(29-28-19)24(31)30-11-5-2-6-12-30;1-15-19(14-24-26-15)21(16-5-3-2-4-6-16)25-17-7-8-20-18(13-17)22(28-27-20)23(30)29-9-11-31-12-10-29/h7-8,17,19H,3-6,9-16H2,1-2H3,(H,30,32)(H,33,34);9-10,13H,2-8,11-12H2,1H3,(H,25,27)(H,28,29);5,7-8,13-14H,2-4,6,9-12H2,1H3,(H,24,26)(H,27,28)/b;;25-21+.

What are the key properties of [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone?

[5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 1345.68 g/mol, XLogP of 11.54, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[cyclohexen-1-yl-(5-methyl-1H-pyrazol-4-yl)methylidene]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone;[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 163917843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).