2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone

C127H143N31O6 — CID 159832280

About 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone

2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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 159832280) has the molecular formula C127H143N31O6 and a molecular weight of 2199.75 g/mol. Its IUPAC name is 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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: 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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: 159832280
• Molecular Formula: C127H143N31O6
• Molecular Weight: 2199.75 g/mol
• Exact Mass: 2198.18
• IUPAC Name: 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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)CC4CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)CC4CCC(N(C)C)CC4)c3c2c2c1CCCC2.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-c1nc2ccc3[nH]nc(C(=O)N4CCOCC4)c3c2c2c1CCCC2
• InChI: InChI=1S/C29H36N8O.C28H34N6O.C24H26N6O.C23H24N6O2.C23H23N5O/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;1-16-21(15-29-31-16)27-20-7-5-4-6-19(20)25-22(30-27)12-13-23-26(25)28(33-32-23)24(35)14-17-8-10-18(11-9-17)34(2)3;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;1-13-16(12-24-26-13)21-15-5-3-2-4-14(15)19-17(25-21)6-7-18-20(19)22(28-27-18)23(30)29-8-10-31-11-9-29;1-12-16(11-24-26-12)22-15-5-3-2-4-14(15)20-17(25-22)8-9-18-21(20)23(28-27-18)19(29)10-13-6-7-13/h7-8,17,19H,3-6,9-16H2,1-2H3,(H,30,32)(H,33,34);12-13,15,17-18H,4-11,14H2,1-3H3,(H,29,31)(H,32,33);9-10,13H,2-8,11-12H2,1H3,(H,25,27)(H,28,29);6-7,12H,2-5,8-11H2,1H3,(H,24,26)(H,27,28);8-9,11,13H,2-7,10H2,1H3,(H,24,26)(H,27,28)
• InChIKey: NNPMLSKLQMMXQY-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 465.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.75
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone (CID 159832280) is 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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)CC4CC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)CC4CCC(N(C)C)CC4)c3c2c2c1CCCC2.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-c1nc2ccc3[nH]nc(C(=O)N4CCOCC4)c3c2c2c1CCCC2.

What is the InChIKey of 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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 NNPMLSKLQMMXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O.C28H34N6O.C24H26N6O.C23H24N6O2.C23H23N5O/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;1-16-21(15-29-31-16)27-20-7-5-4-6-19(20)25-22(30-27)12-13-23-26(25)28(33-32-23)24(35)14-17-8-10-18(11-9-17)34(2)3;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;1-13-16(12-24-26-13)21-15-5-3-2-4-14(15)19-17(25-21)6-7-18-20(19)22(28-27-18)23(30)29-8-10-31-11-9-29;1-12-16(11-24-26-12)22-15-5-3-2-4-14(15)20-17(25-22)8-9-18-21(20)23(28-27-18)19(29)10-13-6-7-13/h7-8,17,19H,3-6,9-16H2,1-2H3,(H,30,32)(H,33,34);12-13,15,17-18H,4-11,14H2,1-3H3,(H,29,31)(H,32,33);9-10,13H,2-8,11-12H2,1H3,(H,25,27)(H,28,29);6-7,12H,2-5,8-11H2,1H3,(H,24,26)(H,27,28);8-9,11,13H,2-7,10H2,1H3,(H,24,26)(H,27,28).

What are the key properties of 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-piperidin-1-ylmethanone?

2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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 2199.75 g/mol, XLogP of 21.07, 16 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;2-[4-(dimethylamino)cyclohexyl]-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;[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]-morpholin-4-ylmethanone;[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 159832280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).