1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine

C107H115F4N25O10 — CID 157234888

About 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine

1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine (PubChem CID 157234888) has the molecular formula C107H115F4N25O10 and a molecular weight of 1987.25 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine
• PubChem CID: 157234888
• Molecular Formula: C107H115F4N25O10
• Molecular Weight: 1987.25 g/mol
• Exact Mass: 1985.92
• IUPAC Name: 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC(O)CN2CCC(F)(F)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2=CCC(C)=N2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC(C#N)C2)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.C27H30F2N6O3.C26H26N6O2.C25H26F2N6O3/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;1-33-14-18(12-31-33)26-13-30-24-5-4-19(10-25(24)32-26)35(20-8-22(37-2)11-23(9-20)38-3)16-21(36)15-34-7-6-27(28,29)17-34;1-17-5-6-19(29-17)16-32(21-9-22(33-3)12-23(10-21)34-4)20-7-8-24-25(11-20)30-26(14-27-24)18-13-28-31(2)15-18;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/h7-8,12-15,17-18,20-21H,4-6,9-11,19H2,1-3H3;4-5,8-14,21,36H,6-7,15-17H2,1-3H3;6-15H,5,16H2,1-4H3;5-6,9-15H,7-8H2,1-4H3,(H,28,34)
• InChIKey: AUNCSFUHLLTVBV-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 353.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1987.25
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine?

The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine (CID 157234888) is 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine.

What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine?

The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine is COc1cc(OC)cc(N(CC(O)CN2CCC(F)(F)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2=CCC(C)=N2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCC(C#N)C2)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 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine?

The InChIKey is AUNCSFUHLLTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2.C27H30F2N6O3.C26H26N6O2.C25H26F2N6O3/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;1-33-14-18(12-31-33)26-13-30-24-5-4-19(10-25(24)32-26)35(20-8-22(37-2)11-23(9-20)38-3)16-21(36)15-34-7-6-27(28,29)17-34;1-17-5-6-19(29-17)16-32(21-9-22(33-3)12-23(10-21)34-4)20-7-8-24-25(11-20)30-26(14-27-24)18-13-28-31(2)15-18;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/h7-8,12-15,17-18,20-21H,4-6,9-11,19H2,1-3H3;4-5,8-14,21,36H,6-7,15-17H2,1-3H3;6-15H,5,16H2,1-4H3;5-6,9-15H,7-8H2,1-4H3,(H,28,34).

What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine?

1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine has a molecular weight of 1987.25 g/mol, XLogP of 17.59, 34 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-difluoropyrrolidin-1-yl)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-2-ol;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)-3-(1-methylpyrazol-4-yl)-N-[(2-methyl-3H-pyrrol-5-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 157234888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).