9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine

C95H123N23O5 — CID 158625025

About 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine

9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine (PubChem CID 158625025) has the molecular formula C95H123N23O5 and a molecular weight of 1667.18 g/mol. Its IUPAC name is 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine.

Molecular Properties

• Compound Name: 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine
• PubChem CID: 158625025
• Molecular Formula: C95H123N23O5
• Molecular Weight: 1667.18 g/mol
• Exact Mass: 1666.01
• IUPAC Name: 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine
• SMILES: CCCC1=C(C)c2c(c(OCCN(C)CCOC)cc3[nH]ncc23)NC1c1cn[nH]c1C.CCCN1CCOCC1.CCCc1c(-c2cn[nH]c2C)nc2ccc3[nH]nc(NC(=O)C4CC4)c3c2c1C.Cc1[nH]ncc1-c1cc(C(C)(C)C)c2c(n1)c(C1CCCCC1)cc1[nH]ncc12.Cc1[nH]ncc1C1NC2=C(C3=C1CCCC3)C1C=NNC1C=C2O
• InChI: InChI=1S/C24H34N6O2.C24H29N5.C22H24N6O.C18H21N5O.C7H15NO/c1-6-7-17-15(2)22-19-14-26-29-20(19)12-21(32-11-9-30(4)8-10-31-5)24(22)27-23(17)18-13-25-28-16(18)3;1-14-17(12-25-28-14)20-11-19(24(2,3)4)22-18-13-26-29-21(18)10-16(23(22)27-20)15-8-6-5-7-9-15;1-4-5-14-11(2)18-16(24-20(14)15-10-23-26-12(15)3)8-9-17-19(18)21(28-27-17)25-22(29)13-6-7-13;1-9-12(7-19-22-9)17-11-5-3-2-4-10(11)16-13-8-20-23-14(13)6-15(24)18(16)21-17;1-2-3-8-4-6-9-7-5-8/h12-14,23,27H,6-11H2,1-5H3,(H,25,28)(H,26,29);10-13,15H,5-9H2,1-4H3,(H,25,28)(H,26,29);8-10,13H,4-7H2,1-3H3,(H,23,26)(H2,25,27,28,29);6-8,13-14,17,21,23-24H,2-5H2,1H3,(H,19,22);2-7H2,1H3
• InChIKey: HYMFDEBQJYPVJA-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 358.49 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1667.18
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine?

The IUPAC name of 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine (CID 158625025) is 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine.

What is the SMILES notation for 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine?

The canonical SMILES for 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine is CCCC1=C(C)c2c(c(OCCN(C)CCOC)cc3[nH]ncc23)NC1c1cn[nH]c1C.CCCN1CCOCC1.CCCc1c(-c2cn[nH]c2C)nc2ccc3[nH]nc(NC(=O)C4CC4)c3c2c1C.Cc1[nH]ncc1-c1cc(C(C)(C)C)c2c(n1)c(C1CCCCC1)cc1[nH]ncc12.Cc1[nH]ncc1C1NC2=C(C3=C1CCCC3)C1C=NNC1C=C2O.

What is the InChIKey of 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine?

The InChIKey is HYMFDEBQJYPVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2.C24H29N5.C22H24N6O.C18H21N5O.C7H15NO/c1-6-7-17-15(2)22-19-14-26-29-20(19)12-21(32-11-9-30(4)8-10-31-5)24(22)27-23(17)18-13-25-28-16(18)3;1-14-17(12-25-28-14)20-11-19(24(2,3)4)22-18-13-26-29-21(18)10-16(23(22)27-20)15-8-6-5-7-9-15;1-4-5-14-11(2)18-16(24-20(14)15-10-23-26-12(15)3)8-9-17-19(18)21(28-27-17)25-22(29)13-6-7-13;1-9-12(7-19-22-9)17-11-5-3-2-4-10(11)16-13-8-20-23-14(13)6-15(24)18(16)21-17;1-2-3-8-4-6-9-7-5-8/h12-14,23,27H,6-11H2,1-5H3,(H,25,28)(H,26,29);10-13,15H,5-9H2,1-4H3,(H,25,28)(H,26,29);8-10,13H,4-7H2,1-3H3,(H,23,26)(H2,25,27,28,29);6-8,13-14,17,21,23-24H,2-5H2,1H3,(H,19,22);2-7H2,1H3.

What are the key properties of 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine?

9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine has a molecular weight of 1667.18 g/mol, XLogP of 18.11, 20 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-tert-butyl-5-cyclohexyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;N-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-1-yl]cyclopropanecarboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine is sourced from PubChem (CID 158625025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).