N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine

C105H121F4N25O10 — CID 158866259

About N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine

N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 158866259) has the molecular formula C105H121F4N25O10 and a molecular weight of 1969.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
• PubChem CID: 158866259
• Molecular Formula: C105H121F4N25O10
• Molecular Weight: 1969.28 g/mol
• Exact Mass: 1967.97
• IUPAC Name: N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
• SMILES: COc1cc(OC)cc(N(CCN2CCCC(C(N)=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNCC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H](O)CNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OCCF)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H33N7O3.C26H31FN6O2.C26H30N6O2.C25H27F3N6O3/c1-33-17-20(15-31-33)27-16-30-25-7-6-21(13-26(25)32-27)35(22-11-23(37-2)14-24(12-22)38-3)10-9-34-8-4-5-19(18-34)28(29)36;1-18(2)28-8-9-33(21-11-22(34-4)14-23(12-21)35-10-7-27)20-5-6-24-25(13-20)31-26(16-29-24)19-15-30-32(3)17-19;1-31-17-19(15-29-31)26-16-28-24-7-6-20(12-25(24)30-26)32(9-8-27-14-18-4-5-18)21-10-22(33-2)13-23(11-21)34-3;1-33-13-16(10-31-33)24-12-30-22-5-4-17(8-23(22)32-24)34(14-19(35)11-29-15-25(26,27)28)18-6-20(36-2)9-21(7-18)37-3/h6-7,11-17,19H,4-5,8-10,18H2,1-3H3,(H2,29,36);5-6,11-18,28H,7-10H2,1-4H3;6-7,10-13,15-18,27H,4-5,8-9,14H2,1-3H3;4-10,12-13,19,29,35H,11,14-15H2,1-3H3/t;;;19-/m...0/s1
• InChIKey: JBGPJFFXWLJMMO-NYBMIIRXSA-N
• XLogP: 15.79
• TPSA: 363.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 40
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.28
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The IUPAC name of N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine (CID 158866259) is N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine.

What is the SMILES notation for N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The canonical SMILES for N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine is COc1cc(OC)cc(N(CCN2CCCC(C(N)=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNCC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@@H](O)CNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OCCF)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The InChIKey is JBGPJFFXWLJMMO-NYBMIIRXSA-N. The full InChI is InChI=1S/C28H33N7O3.C26H31FN6O2.C26H30N6O2.C25H27F3N6O3/c1-33-17-20(15-31-33)27-16-30-25-7-6-21(13-26(25)32-27)35(22-11-23(37-2)14-24(12-22)38-3)10-9-34-8-4-5-19(18-34)28(29)36;1-18(2)28-8-9-33(21-11-22(34-4)14-23(12-21)35-10-7-27)20-5-6-24-25(13-20)31-26(16-29-24)19-15-30-32(3)17-19;1-31-17-19(15-29-31)26-16-28-24-7-6-20(12-25(24)30-26)32(9-8-27-14-18-4-5-18)21-10-22(33-2)13-23(11-21)34-3;1-33-13-16(10-31-33)24-12-30-22-5-4-17(8-23(22)32-24)34(14-19(35)11-29-15-25(26,27)28)18-6-20(36-2)9-21(7-18)37-3/h6-7,11-17,19H,4-5,8-10,18H2,1-3H3,(H2,29,36);5-6,11-18,28H,7-10H2,1-4H3;6-7,10-13,15-18,27H,4-5,8-9,14H2,1-3H3;4-10,12-13,19,29,35H,11,14-15H2,1-3H3/t;;;19-/m...0/s1.

What are the key properties of N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 1969.28 g/mol, XLogP of 15.79, 40 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidine-3-carboxamide;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(2,2,2-trifluoroethylamino)propan-2-ol;N'-[3-(2-fluoroethoxy)-5-methoxyphenyl]-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 158866259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).