tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane

C83H105F3N18O10 — CID 157494371

About tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane

tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane (PubChem CID 157494371) has the molecular formula C83H105F3N18O10 and a molecular weight of 1571.86 g/mol. Its IUPAC name is tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane
• PubChem CID: 157494371
• Molecular Formula: C83H105F3N18O10
• Molecular Weight: 1571.86 g/mol
• Exact Mass: 1570.82
• IUPAC Name: tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane
• SMILES: C.C.C.C.COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)nc3c2)c1
• InChI: InChI=1S/C31H38N6O5.C24H23F3N6O3.C24H28N6O2.4CH4/c1-31(2,3)42-30(39)35-10-8-22(9-11-35)37-20-21(18-33-37)29-19-32-27-7-6-23(16-28(27)34-29)36(12-13-38)24-14-25(40-4)17-26(15-24)41-5;1-35-18-8-17(9-19(11-18)36-2)33(7-3-6-28-23(34)24(25,26)27)16-4-5-20-21(10-16)32-22(14-29-20)15-12-30-31-13-15;1-28(2)8-9-30(19-10-20(31-4)13-21(11-19)32-5)18-6-7-22-23(12-18)27-24(15-25-22)17-14-26-29(3)16-17;;;;/h6-7,14-20,22,38H,8-13H2,1-5H3;4-5,8-14H,3,6-7H2,1-2H3,(H,28,34)(H,30,31);6-7,10-16H,8-9H2,1-5H3;4*1H4
• InChIKey: BXQNMHVLGZVFFC-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 288.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.86
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane?

The IUPAC name of tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane (CID 157494371) is tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane.

What is the SMILES notation for tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane?

The canonical SMILES for tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane is C.C.C.C.COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)nc3c2)c1.

What is the InChIKey of tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane?

The InChIKey is BXQNMHVLGZVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O5.C24H23F3N6O3.C24H28N6O2.4CH4/c1-31(2,3)42-30(39)35-10-8-22(9-11-35)37-20-21(18-33-37)29-19-32-27-7-6-23(16-28(27)34-29)36(12-13-38)24-14-25(40-4)17-26(15-24)41-5;1-35-18-8-17(9-19(11-18)36-2)33(7-3-6-28-23(34)24(25,26)27)16-4-5-20-21(10-16)32-22(14-29-20)15-12-30-31-13-15;1-28(2)8-9-30(19-10-20(31-4)13-21(11-19)32-5)18-6-7-22-23(12-18)27-24(15-25-22)17-14-26-29(3)16-17;;;;/h6-7,14-20,22,38H,8-13H2,1-5H3;4-5,8-14H,3,6-7H2,1-2H3,(H,28,34)(H,30,31);6-7,10-16H,8-9H2,1-5H3;4*1H4.

What are the key properties of tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane?

tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane has a molecular weight of 1571.86 g/mol, XLogP of 15.75, 25 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate;N'-(3,5-dimethoxyphenyl)-N,N-dimethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;methane is sourced from PubChem (CID 157494371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).