N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine

C114H125FN24O11 — CID 157256157

About N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine

N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine (PubChem CID 157256157) has the molecular formula C114H125FN24O11 and a molecular weight of 2026.41 g/mol. Its IUPAC name is N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine
• PubChem CID: 157256157
• Molecular Formula: C114H125FN24O11
• Molecular Weight: 2026.41 g/mol
• Exact Mass: 2024.99
• IUPAC Name: N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCF)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC(N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C35H34N6O5.C27H33N7O2.C27H32N6O2.C25H26FN5O2/c1-44-26-16-25(17-27(19-26)45-2)39(13-7-14-40-34(42)28-8-3-4-9-29(28)35(40)43)24-11-12-30-31(18-24)38-32(21-36-30)23-20-37-41(22-23)33-10-5-6-15-46-33;1-32-17-19(15-30-32)27-16-29-25-6-5-21(13-26(25)31-27)34(9-4-8-33-10-7-20(28)18-33)22-11-23(35-2)14-24(12-22)36-3;1-31-19-20(17-29-31)27-18-28-25-8-7-21(15-26(25)30-27)33(12-11-32-9-5-4-6-10-32)22-13-23(34-2)16-24(14-22)35-3;1-32-21-9-20(10-22(12-21)33-2)31(15-17-3-4-17)19-5-6-23-24(11-19)29-25(14-27-23)18-13-28-30(16-18)8-7-26/h3-4,8-9,11-12,16-22,33H,5-7,10,13-15H2,1-2H3;5-6,11-17,20H,4,7-10,18,28H2,1-3H3;7-8,13-19H,4-6,9-12H2,1-3H3;5-6,9-14,16-17H,3-4,7-8,15H2,1-2H3
• InChIKey: AWXMCZDHMWOMPW-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 340.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.41
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine?

The IUPAC name of N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine (CID 157256157) is N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine.

What is the SMILES notation for N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine?

The canonical SMILES for N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCF)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC(N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine?

The InChIKey is AWXMCZDHMWOMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O5.C27H33N7O2.C27H32N6O2.C25H26FN5O2/c1-44-26-16-25(17-27(19-26)45-2)39(13-7-14-40-34(42)28-8-3-4-9-29(28)35(40)43)24-11-12-30-31(18-24)38-32(21-36-30)23-20-37-41(22-23)33-10-5-6-15-46-33;1-32-17-19(15-30-32)27-16-29-25-6-5-21(13-26(25)31-27)34(9-4-8-33-10-7-20(28)18-33)22-11-23(35-2)14-24(12-22)36-3;1-31-19-20(17-29-31)27-18-28-25-8-7-21(15-26(25)30-27)33(12-11-32-9-5-4-6-10-32)22-13-23(34-2)16-24(14-22)35-3;1-32-21-9-20(10-22(12-21)33-2)31(15-17-3-4-17)19-5-6-23-24(11-19)29-25(14-27-23)18-13-28-30(16-18)8-7-26/h3-4,8-9,11-12,16-22,33H,5-7,10,13-15H2,1-2H3;5-6,11-17,20H,4,7-10,18,28H2,1-3H3;7-8,13-19H,4-6,9-12H2,1-3H3;5-6,9-14,16-17H,3-4,7-8,15H2,1-2H3.

What are the key properties of N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine?

N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine has a molecular weight of 2026.41 g/mol, XLogP of 19.34, 36 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-aminopyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]quinoxalin-6-amine;2-[3-(3,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine is sourced from PubChem (CID 157256157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).