[(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

C73H80N18O5 — CID 163454788

About [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone

[(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (PubChem CID 163454788) has the molecular formula C73H80N18O5 and a molecular weight of 1289.56 g/mol. Its IUPAC name is [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
• PubChem CID: 163454788
• Molecular Formula: C73H80N18O5
• Molecular Weight: 1289.56 g/mol
• Exact Mass: 1288.66
• IUPAC Name: [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone
• SMILES: Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC[C@@H](C)C4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCO[C@@H](C)C4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCO[C@H](C)C4)c3c2c2c1CCCC2
• InChI: InChI=1S/C25H28N6O.2C24H26N6O2/c1-14-6-5-11-31(13-14)25(32)24-22-20(29-30-24)10-9-19-21(22)16-7-3-4-8-17(16)23(27-19)18-12-26-28-15(18)2;2*1-13-12-30(9-10-32-13)24(31)23-21-19(28-29-23)8-7-18-20(21)15-5-3-4-6-16(15)22(26-18)17-11-25-27-14(17)2/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,26,28)(H,29,30);2*7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,25,27)(H,28,29)/t14-;2*13-/m110/s1
• InChIKey: BJNFAUZIPGJTLI-AIFZUHSWSA-N
• XLogP: 11.66
• TPSA: 290.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1289.56
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The IUPAC name of [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone (CID 163454788) is [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone.

What is the SMILES notation for [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The canonical SMILES for [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCC[C@@H](C)C4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCO[C@@H](C)C4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCO[C@H](C)C4)c3c2c2c1CCCC2.

What is the InChIKey of [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

The InChIKey is BJNFAUZIPGJTLI-AIFZUHSWSA-N. The full InChI is InChI=1S/C25H28N6O.2C24H26N6O2/c1-14-6-5-11-31(13-14)25(32)24-22-20(29-30-24)10-9-19-21(22)16-7-3-4-8-17(16)23(27-19)18-12-26-28-15(18)2;2*1-13-12-30(9-10-32-13)24(31)23-21-19(28-29-23)8-7-18-20(21)15-5-3-4-6-16(15)22(26-18)17-11-25-27-14(17)2/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,26,28)(H,29,30);2*7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,25,27)(H,28,29)/t14-;2*13-/m110/s1.

What are the key properties of [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone?

[(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone has a molecular weight of 1289.56 g/mol, XLogP of 11.66, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(2R)-2-methylmorpholin-4-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;[(3R)-3-methylpiperidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone is sourced from PubChem (CID 163454788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).