N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde

C130H135Br3ClCuF3IN28O9 — CID 159871012

About N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde

N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde (PubChem CID 159871012) has the molecular formula C130H135Br3ClCuF3IN28O9 and a molecular weight of 2756.31 g/mol. Its IUPAC name is N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159871012
• Molecular Formula: C130H135Br3ClCuF3IN28O9
• Molecular Weight: 2756.31 g/mol
• Exact Mass: 2750.65
• IUPAC Name: N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde
• SMILES: C1=CCN=C1.CCOCCBr.CCOCCn1cc2c(n1)c(N)nc1cc(-n3cccn3)ccc12.CC[C@H]1CCCC[C@@H]1NC.COc1ccc(CN)cc1.COc1ccc(CNc2nc3cc(-n4cccn4)ccc3c3cn(Cc4ccc(OC)cc4)nc23)cc1.COc1ccc(CNc2nc3cc(Br)ccc3c3cn(Cc4ccc(OC)cc4)nc23)cc1.COc1ccc(Cn2cc3c(n2)c(Cl)nc2cc(Br)ccc23)cc1.Nc1nc2cc(-n3cccn3)ccc2c2cn[nH]c12.O=CC(F)(F)F.[Cu]I
• InChI: InChI=1S/C29H26N6O2.C26H23BrN4O2.C18H13BrClN3O.C17H18N6O.C13H10N6.C9H19N.C8H11NO.C4H9BrO.C4H5N.C2HF3O.Cu.HI/c1-36-23-9-4-20(5-10-23)17-30-29-28-26(19-34(33-28)18-21-6-11-24(37-2)12-7-21)25-13-8-22(16-27(25)32-29)35-15-3-14-31-35;1-32-20-8-3-17(4-9-20)14-28-26-25-23(22-12-7-19(27)13-24(22)29-26)16-31(30-25)15-18-5-10-21(33-2)11-6-18;1-24-13-5-2-11(3-6-13)9-23-10-15-14-7-4-12(19)8-16(14)21-18(20)17(15)22-23;1-2-24-9-8-22-11-14-13-5-4-12(23-7-3-6-19-23)10-15(13)20-17(18)16(14)21-22;14-13-12-10(7-15-18-12)9-3-2-8(6-11(9)17-13)19-5-1-4-16-19;1-3-8-6-4-5-7-9(8)10-2;1-10-8-4-2-7(6-9)3-5-8;1-2-6-4-3-5;1-2-4-5-3-1;3-2(4,5)1-6;;/h3-16,19H,17-18H2,1-2H3,(H,30,32);3-13,16H,14-15H2,1-2H3,(H,28,29);2-8,10H,9H2,1H3;3-7,10-11H,2,8-9H2,1H3,(H2,18,20);1-7H,(H2,14,17)(H,15,18);8-10H,3-7H2,1-2H3;2-5H,6,9H2,1H3;2-4H2,1H3;1-3H,4H2;1H;;1H/q;;;;;;;;;;+1;/p-1/t;;;;;8-,9-;;;;;;/m.....0....../s1
• InChIKey: NSIMYYKFPGIESS-QQGXJWFOSA-M
• XLogP: 27.80
• TPSA: 435.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2756.31
LogP ≤ 5	27.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde?

The IUPAC name of N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde (CID 159871012) is N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde is C1=CCN=C1.CCOCCBr.CCOCCn1cc2c(n1)c(N)nc1cc(-n3cccn3)ccc12.CC[C@H]1CCCC[C@@H]1NC.COc1ccc(CN)cc1.COc1ccc(CNc2nc3cc(-n4cccn4)ccc3c3cn(Cc4ccc(OC)cc4)nc23)cc1.COc1ccc(CNc2nc3cc(Br)ccc3c3cn(Cc4ccc(OC)cc4)nc23)cc1.COc1ccc(Cn2cc3c(n2)c(Cl)nc2cc(Br)ccc23)cc1.Nc1nc2cc(-n3cccn3)ccc2c2cn[nH]c12.O=CC(F)(F)F.[Cu]I.

What is the InChIKey of N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde?

The InChIKey is NSIMYYKFPGIESS-QQGXJWFOSA-M. The full InChI is InChI=1S/C29H26N6O2.C26H23BrN4O2.C18H13BrClN3O.C17H18N6O.C13H10N6.C9H19N.C8H11NO.C4H9BrO.C4H5N.C2HF3O.Cu.HI/c1-36-23-9-4-20(5-10-23)17-30-29-28-26(19-34(33-28)18-21-6-11-24(37-2)12-7-21)25-13-8-22(16-27(25)32-29)35-15-3-14-31-35;1-32-20-8-3-17(4-9-20)14-28-26-25-23(22-12-7-19(27)13-24(22)29-26)16-31(30-25)15-18-5-10-21(33-2)11-6-18;1-24-13-5-2-11(3-6-13)9-23-10-15-14-7-4-12(19)8-16(14)21-18(20)17(15)22-23;1-2-24-9-8-22-11-14-13-5-4-12(23-7-3-6-19-23)10-15(13)20-17(18)16(14)21-22;14-13-12-10(7-15-18-12)9-3-2-8(6-11(9)17-13)19-5-1-4-16-19;1-3-8-6-4-5-7-9(8)10-2;1-10-8-4-2-7(6-9)3-5-8;1-2-6-4-3-5;1-2-4-5-3-1;3-2(4,5)1-6;;/h3-16,19H,17-18H2,1-2H3,(H,30,32);3-13,16H,14-15H2,1-2H3,(H,28,29);2-8,10H,9H2,1H3;3-7,10-11H,2,8-9H2,1H3,(H2,18,20);1-7H,(H2,14,17)(H,15,18);8-10H,3-7H2,1-2H3;2-5H,6,9H2,1H3;2-4H2,1H3;1-3H,4H2;1H;;1H/q;;;;;;;;;;+1;/p-1/t;;;;;8-,9-;;;;;;/m.....0....../s1.

What are the key properties of N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde?

N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde has a molecular weight of 2756.31 g/mol, XLogP of 27.80, 31 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159871012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).