9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine

C109H106ClF4N31O — CID 157468934

About 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine

9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine (PubChem CID 157468934) has the molecular formula C109H106ClF4N31O and a molecular weight of 1977.71 g/mol. Its IUPAC name is 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine.

Molecular Properties

• Compound Name: 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine
• PubChem CID: 157468934
• Molecular Formula: C109H106ClF4N31O
• Molecular Weight: 1977.71 g/mol
• Exact Mass: 1975.88
• IUPAC Name: 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine
• SMILES: Cc1[nH]ncc1-c1cc(Cc2ccc(F)c(Cl)c2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(-c4cc(C(F)(F)F)nn4C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(N4CCOCC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NCCN(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C#CCN)c3c2c2c1CCCC2
• InChI: InChI=1S/C23H20F3N7.C22H27N7.C22H24N6O.C21H15ClFN5.C21H20N6/c1-11-14(10-27-29-11)21-13-6-4-3-5-12(13)19-15(28-21)7-8-16-20(19)22(31-30-16)17-9-18(23(24,25)26)32-33(17)2;1-13-16(12-24-26-13)21-15-7-5-4-6-14(15)19-17(25-21)8-9-18-20(19)22(28-27-18)23-10-11-29(2)3;1-13-16(12-23-25-13)21-15-5-3-2-4-14(15)19-17(24-21)6-7-18-20(19)22(27-26-18)28-8-10-29-11-9-28;1-11-14(9-24-27-11)20-8-13(6-12-2-3-17(23)16(22)7-12)21-15-10-25-28-18(15)4-5-19(21)26-20;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-18-20(19)17(26-27-18)7-4-10-22/h7-10H,3-6H2,1-2H3,(H,27,29)(H,30,31);8-9,12H,4-7,10-11H2,1-3H3,(H,24,26)(H2,23,27,28);6-7,12H,2-5,8-11H2,1H3,(H,23,25)(H,26,27);2-5,7-10H,6H2,1H3,(H,24,27)(H,25,28);8-9,11H,2-3,5-6,10,22H2,1H3,(H,23,25)(H,26,27)
• InChIKey: BUUKJBNXAZXKMD-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 422.83 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.71
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine?

The IUPAC name of 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine (CID 157468934) is 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine.

What is the SMILES notation for 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine?

The canonical SMILES for 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine is Cc1[nH]ncc1-c1cc(Cc2ccc(F)c(Cl)c2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(-c4cc(C(F)(F)F)nn4C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(N4CCOCC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(NCCN(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C#CCN)c3c2c2c1CCCC2.

What is the InChIKey of 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine?

The InChIKey is BUUKJBNXAZXKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7.C22H27N7.C22H24N6O.C21H15ClFN5.C21H20N6/c1-11-14(10-27-29-11)21-13-6-4-3-5-12(13)19-15(28-21)7-8-16-20(19)22(31-30-16)17-9-18(23(24,25)26)32-33(17)2;1-13-16(12-24-26-13)21-15-7-5-4-6-14(15)19-17(25-21)8-9-18-20(19)22(28-27-18)23-10-11-29(2)3;1-13-16(12-23-25-13)21-15-5-3-2-4-14(15)19-17(24-21)6-7-18-20(19)22(27-26-18)28-8-10-29-11-9-28;1-11-14(9-24-27-11)20-8-13(6-12-2-3-17(23)16(22)7-12)21-15-10-25-28-18(15)4-5-19(21)26-20;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-18-20(19)17(26-27-18)7-4-10-22/h7-10H,3-6H2,1-2H3,(H,27,29)(H,30,31);8-9,12H,4-7,10-11H2,1-3H3,(H,24,26)(H2,23,27,28);6-7,12H,2-5,8-11H2,1H3,(H,23,25)(H,26,27);2-5,7-10H,6H2,1H3,(H,24,27)(H,25,28);8-9,11H,2-3,5-6,10,22H2,1H3,(H,23,25)(H,26,27).

What are the key properties of 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine?

9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine has a molecular weight of 1977.71 g/mol, XLogP of 20.49, 13 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine is sourced from PubChem (CID 157468934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).