N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine

C118H137F2N25O9 — CID 158221768

About N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine

N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine (PubChem CID 158221768) has the molecular formula C118H137F2N25O9 and a molecular weight of 2087.56 g/mol. Its IUPAC name is N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine
• PubChem CID: 158221768
• Molecular Formula: C118H137F2N25O9
• Molecular Weight: 2087.56 g/mol
• Exact Mass: 2086.10
• IUPAC Name: N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine
• SMILES: C#C[C@H]1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)C1.C#C[C@H]1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)C1.COc1cc(OC)cc(N(CCCN2CCC(C(C)(F)F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(N(C)C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C33H38N6O3.C30H36F2N6O2.C28H35N7O2.C27H28N6O2/c1-4-24-7-10-37(21-24)11-12-39(28-15-29(40-2)18-30(16-28)41-3)27-5-6-31-32(17-27)36-33(20-34-31)26-19-35-38(23-26)22-25-8-13-42-14-9-25;1-30(31,32)22-8-12-37(13-9-22)10-5-11-38(24-14-25(39-3)17-26(15-24)40-4)23-6-7-27-28(16-23)35-29(19-33-27)21-18-34-36(2)20-21;1-32(2)22-8-9-34(19-22)10-11-35(23-12-24(36-4)15-25(13-23)37-5)21-6-7-26-27(14-21)31-28(17-29-26)20-16-30-33(3)18-20;1-4-19-7-8-32(18-19)9-10-33(22-11-23(34-2)14-24(12-22)35-3)21-5-6-25-26(13-21)31-27(17-28-25)20-15-29-30-16-20/h1,5-6,15-20,23-25H,7-14,21-22H2,2-3H3;6-7,14-20,22H,5,8-13H2,1-4H3;6-7,12-18,22H,8-11,19H2,1-5H3;1,5-6,11-17,19H,7-10,18H2,2-3H3,(H,29,30)/t24-;;;19-/m0..0/s1
• InChIKey: GDICTOKZFPQHFF-FIQZMUTCSA-N
• XLogP: 18.92
• TPSA: 297.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.56
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The IUPAC name of N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine (CID 158221768) is N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine.

What is the SMILES notation for N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The canonical SMILES for N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine is C#C[C@H]1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)C1.C#C[C@H]1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(CC5CCOCC5)c4)nc3c2)C1.COc1cc(OC)cc(N(CCCN2CCC(C(C)(F)F)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(N(C)C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

The InChIKey is GDICTOKZFPQHFF-FIQZMUTCSA-N. The full InChI is InChI=1S/C33H38N6O3.C30H36F2N6O2.C28H35N7O2.C27H28N6O2/c1-4-24-7-10-37(21-24)11-12-39(28-15-29(40-2)18-30(16-28)41-3)27-5-6-31-32(17-27)36-33(20-34-31)26-19-35-38(23-26)22-25-8-13-42-14-9-25;1-30(31,32)22-8-12-37(13-9-22)10-5-11-38(24-14-25(39-3)17-26(15-24)40-4)23-6-7-27-28(16-23)35-29(19-33-27)21-18-34-36(2)20-21;1-32(2)22-8-9-34(19-22)10-11-35(23-12-24(36-4)15-25(13-23)37-5)21-6-7-26-27(14-21)31-28(17-29-26)20-16-30-33(3)18-20;1-4-19-7-8-32(18-19)9-10-33(22-11-23(34-2)14-24(12-22)35-3)21-5-6-25-26(13-21)31-27(17-28-25)20-15-29-30-16-20/h1,5-6,15-20,23-25H,7-14,21-22H2,2-3H3;6-7,14-20,22H,5,8-13H2,1-4H3;6-7,12-18,22H,8-11,19H2,1-5H3;1,5-6,11-17,19H,7-10,18H2,2-3H3,(H,29,30)/t24-;;;19-/m0..0/s1.

What are the key properties of N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine?

N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 2087.56 g/mol, XLogP of 18.92, 37 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(1,1-difluoroethyl)piperidin-1-yl]propyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1H-pyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 158221768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).