N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

C129H153F3N30O12 — CID 158040317

About N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 158040317) has the molecular formula C129H153F3N30O12 and a molecular weight of 2372.83 g/mol. Its IUPAC name is N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• PubChem CID: 158040317
• Molecular Formula: C129H153F3N30O12
• Molecular Weight: 2372.83 g/mol
• Exact Mass: 2371.22
• IUPAC Name: N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• SMILES: CCN(CC)CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCn1cc(-c2cnc3ccc(N(CCNC)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C(C)(C)C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
• InChI: InChI=1S/C28H36N6O2.C27H29F3N6O4.C26H32N6O2.2C24H28N6O2/c1-19(2)29-10-11-33(22-12-23(35-6)15-24(13-22)36-7)21-8-9-25-26(14-21)32-27(17-30-25)20-16-31-34(18-20)28(3,4)5;1-26(38,27(28,29)30)25(37)31-8-5-9-36(19-10-20(39-3)13-21(11-19)40-4)18-6-7-22-23(12-18)34-24(15-32-22)17-14-33-35(2)16-17;1-6-31(7-2)10-11-32(21-12-22(33-4)15-23(13-21)34-5)20-8-9-24-25(14-20)29-26(17-27-24)19-16-28-30(3)18-19;1-16(2)25-9-10-30(23-12-19(31-3)6-8-24(23)32-4)18-5-7-20-21(11-18)29-22(15-26-20)17-13-27-28-14-17;1-5-29-16-17(14-27-29)24-15-26-22-7-6-18(12-23(22)28-24)30(9-8-25-2)19-10-20(31-3)13-21(11-19)32-4/h8-9,12-19,29H,10-11H2,1-7H3;6-7,10-16,38H,5,8-9H2,1-4H3,(H,31,37);8-9,12-18H,6-7,10-11H2,1-5H3;5-8,11-16,25H,9-10H2,1-4H3,(H,27,28);6-7,10-16,25H,5,8-9H2,1-4H3
• InChIKey: FIGSCCFUYVRSTJ-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 426.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 47
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2372.83
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The IUPAC name of N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (CID 158040317) is N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

What is the SMILES notation for N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The canonical SMILES for N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is CCN(CC)CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCn1cc(-c2cnc3ccc(N(CCNC)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C(C)(C)C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.

What is the InChIKey of N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The InChIKey is FIGSCCFUYVRSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2.C27H29F3N6O4.C26H32N6O2.2C24H28N6O2/c1-19(2)29-10-11-33(22-12-23(35-6)15-24(13-22)36-7)21-8-9-25-26(14-21)32-27(17-30-25)20-16-31-34(18-20)28(3,4)5;1-26(38,27(28,29)30)25(37)31-8-5-9-36(19-10-20(39-3)13-21(11-19)40-4)18-6-7-22-23(12-18)34-24(15-32-22)17-14-33-35(2)16-17;1-6-31(7-2)10-11-32(21-12-22(33-4)15-23(13-21)34-5)20-8-9-24-25(14-20)29-26(17-27-24)19-16-28-30(3)18-19;1-16(2)25-9-10-30(23-12-19(31-3)6-8-24(23)32-4)18-5-7-20-21(11-18)29-22(15-26-20)17-13-27-28-14-17;1-5-29-16-17(14-27-29)24-15-26-22-7-6-18(12-23(22)28-24)30(9-8-25-2)19-10-20(31-3)13-21(11-19)32-4/h8-9,12-19,29H,10-11H2,1-7H3;6-7,10-16,38H,5,8-9H2,1-4H3,(H,31,37);8-9,12-18H,6-7,10-11H2,1-5H3;5-8,11-16,25H,9-10H2,1-4H3,(H,27,28);6-7,10-16,25H,5,8-9H2,1-4H3.

What are the key properties of N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 2372.83 g/mol, XLogP of 22.00, 47 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-N'-(3,5-dimethoxyphenyl)-N-propan-2-ylethane-1,2-diamine;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N'-(3,5-dimethoxyphenyl)-N,N-diethyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-methylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 158040317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).