N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine

C105H115F2N25O9 — CID 159049478

About N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine

N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine (PubChem CID 159049478) has the molecular formula C105H115F2N25O9 and a molecular weight of 1909.24 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine
• PubChem CID: 159049478
• Molecular Formula: C105H115F2N25O9
• Molecular Weight: 1909.24 g/mol
• Exact Mass: 1907.93
• IUPAC Name: N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC2=CCC(C)=N2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC(C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H33N7O2.C26H32N6O2.C25H26F2N6O3.C25H24N6O2/c1-34-20-22(17-32-34)29-18-31-27-8-7-23(14-28(27)33-29)36(24-12-25(37-2)15-26(13-24)38-3)11-5-10-35-9-4-6-21(16-30)19-35;1-18(2)27-9-6-10-32(21-11-22(33-4)14-23(12-21)34-5)20-7-8-24-25(13-20)30-26(16-28-24)19-15-29-31(3)17-19;1-25(26,27)24(34)28-7-8-33(18-9-19(35-3)12-20(10-18)36-4)17-5-6-21-22(11-17)31-23(14-29-21)16-13-30-32(2)15-16;1-16-4-5-18(29-16)15-31(20-8-21(32-2)11-22(9-20)33-3)19-6-7-23-24(10-19)30-25(14-26-23)17-12-27-28-13-17/h7-8,12-15,17-18,20-21H,4-6,9-11,19H2,1-3H3;7-8,11-18,27H,6,9-10H2,1-5H3;5-6,9-15H,7-8H2,1-4H3,(H,28,34);5-14H,4,15H2,1-3H3,(H,27,28)
• InChIKey: JXBVPNHITNGDKY-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 352.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.24
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The IUPAC name of N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine (CID 159049478) is N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine.

What is the SMILES notation for N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The canonical SMILES for N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC2=CCC(C)=N2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC(C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The InChIKey is JXBVPNHITNGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2.C26H32N6O2.C25H26F2N6O3.C25H24N6O2/c1-34-20-22(17-32-34)29-18-31-27-8-7-23(14-28(27)33-29)36(24-12-25(37-2)15-26(13-24)38-3)11-5-10-35-9-4-6-21(16-30)19-35;1-18(2)27-9-6-10-32(21-11-22(33-4)14-23(12-21)34-5)20-7-8-24-25(13-20)30-26(16-28-24)19-15-29-31(3)17-19;1-25(26,27)24(34)28-7-8-33(18-9-19(35-3)12-20(10-18)36-4)17-5-6-21-22(11-17)31-23(14-29-21)16-13-30-32(2)15-16;1-16-4-5-18(29-16)15-31(20-8-21(32-2)11-22(9-20)33-3)19-6-7-23-24(10-19)30-25(14-26-23)17-12-27-28-13-17/h7-8,12-15,17-18,20-21H,4-6,9-11,19H2,1-3H3;7-8,11-18,27H,6,9-10H2,1-5H3;5-6,9-15H,7-8H2,1-4H3,(H,28,34);5-14H,4,15H2,1-3H3,(H,27,28).

What are the key properties of N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 1909.24 g/mol, XLogP of 18.27, 35 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-2,2-difluoropropanamide;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]piperidine-3-carbonitrile;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 159049478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).