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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one

C73H80N16O4 — CID 163855321

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one (PubChem CID 163855321) has the molecular formula C73H80N16O4 and a molecular weight of 1245.55 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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one.

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one
• PubChem CID: 163855321
• Molecular Formula: C73H80N16O4
• Molecular Weight: 1245.55 g/mol
• Exact Mass: 1244.65
• 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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one
• 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)CCCO)c3c2c2c1CCCC2
• InChI: InChI=1S/C28H34N6O.C23H23N5O.C22H23N5O2/c1-16-21(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;1-12-16(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;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-17-20(19)22(27-26-17)18(29)7-4-10-28/h12-13,15,17-18H,4-11,14H2,1-3H3,(H,29,31)(H,32,33);8-9,11,13H,2-7,10H2,1H3,(H,24,26)(H,27,28);8-9,11,28H,2-7,10H2,1H3,(H,23,25)(H,26,27)
• InChIKey: OXUDBABPNXUTDQ-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 285.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1245.55
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one?

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one (CID 163855321) 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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one.

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one?

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one 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)CCCO)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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one?

The InChIKey is OXUDBABPNXUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O.C23H23N5O.C22H23N5O2/c1-16-21(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;1-12-16(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;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-17-20(19)22(27-26-17)18(29)7-4-10-28/h12-13,15,17-18H,4-11,14H2,1-3H3,(H,29,31)(H,32,33);8-9,11,13H,2-7,10H2,1H3,(H,24,26)(H,27,28);8-9,11,28H,2-7,10H2,1H3,(H,23,25)(H,26,27).

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one?

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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one has a molecular weight of 1245.55 g/mol, XLogP of 13.70, 14 rotatable bonds, 7 hydrogen bond donors, and 14 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-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one is sourced from PubChem (CID 163855321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).