N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol

C119H131F2N25O11 — CID 158255502

About N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol

N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol (PubChem CID 158255502) has the molecular formula C119H131F2N25O11 and a molecular weight of 2125.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol
• PubChem CID: 158255502
• Molecular Formula: C119H131F2N25O11
• Molecular Weight: 2125.52 g/mol
• Exact Mass: 2124.04
• IUPAC Name: N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol
• SMILES: CCc1ccnc(C#CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2cc(OC)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCN5CCN(CCCO)CC5)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H](O)C(C)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
• InChI: InChI=1S/C34H48N8O3.C30H28N6O2.C29H26N6O3.C26H29F2N5O3/c1-26(2)35-9-13-42(29-19-30(44-3)22-31(20-29)45-4)28-7-8-32-33(21-28)38-34(24-36-32)27-23-37-41(25-27)12-5-10-39-14-16-40(17-15-39)11-6-18-43;1-5-21-10-11-31-23(13-21)7-6-12-36(25-14-26(37-3)17-27(15-25)38-4)24-8-9-28-29(16-24)34-30(19-32-28)22-18-33-35(2)20-22;1-34-19-20(17-32-34)29-18-31-27-8-7-22(15-28(27)33-29)35(23-13-25(37-3)16-26(14-23)38-4)11-5-6-21-12-24(36-2)9-10-30-21;1-16(2)33-14-17(12-30-33)24-13-29-22-7-6-18(10-23(22)31-24)32(15-25(34)26(3,27)28)19-8-20(35-4)11-21(9-19)36-5/h7-8,19-26,35,43H,5-6,9-18H2,1-4H3;8-11,13-20H,5,12H2,1-4H3;7-10,12-19H,11H2,1-4H3;6-14,16,25,34H,15H2,1-5H3/t;;;25-/m...0/s1
• InChIKey: GHFSMWBLSNHHNX-OCINMGRESA-N
• XLogP: 19.12
• TPSA: 355.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.52
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?

The IUPAC name of N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol (CID 158255502) is N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol is CCc1ccnc(C#CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2cc(OC)ccn2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCCN5CCN(CCCO)CC5)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H](O)C(C)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?

The InChIKey is GHFSMWBLSNHHNX-OCINMGRESA-N. The full InChI is InChI=1S/C34H48N8O3.C30H28N6O2.C29H26N6O3.C26H29F2N5O3/c1-26(2)35-9-13-42(29-19-30(44-3)22-31(20-29)45-4)28-7-8-32-33(21-28)38-34(24-36-32)27-23-37-41(25-27)12-5-10-39-14-16-40(17-15-39)11-6-18-43;1-5-21-10-11-31-23(13-21)7-6-12-36(25-14-26(37-3)17-27(15-25)38-4)24-8-9-28-29(16-24)34-30(19-32-28)22-18-33-35(2)20-22;1-34-19-20(17-32-34)29-18-31-27-8-7-22(15-28(27)33-29)35(23-13-25(37-3)16-26(14-23)38-4)11-5-6-21-12-24(36-2)9-10-30-21;1-16(2)33-14-17(12-30-33)24-13-29-22-7-6-18(10-23(22)31-24)32(15-25(34)26(3,27)28)19-8-20(35-4)11-21(9-19)36-5/h7-8,19-26,35,43H,5-6,9-18H2,1-4H3;8-11,13-20H,5,12H2,1-4H3;7-10,12-19H,11H2,1-4H3;6-14,16,25,34H,15H2,1-5H3/t;;;25-/m...0/s1.

What are the key properties of N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol?

N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol has a molecular weight of 2125.52 g/mol, XLogP of 19.12, 39 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-N-[3-(4-ethyl-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[4-[3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propan-1-ol;(2S)-1-(3,5-dimethoxy-N-[3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol is sourced from PubChem (CID 158255502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).