3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine

C78H89FN18O6 — CID 165084955

About 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine

3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 165084955) has the molecular formula C78H89FN18O6 and a molecular weight of 1393.69 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

• Compound Name: 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
• PubChem CID: 165084955
• Molecular Formula: C78H89FN18O6
• Molecular Weight: 1393.69 g/mol
• Exact Mass: 1392.72
• IUPAC Name: 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
• SMILES: CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C[C@@H](C)O[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H36N6O3.C25H26N6O2.C24H27FN6O/c1-20-17-34(18-21(2)38-20)9-6-10-35(24-11-25(36-4)14-26(12-24)37-5)23-7-8-27-28(13-23)32-29(16-30-27)22-15-31-33(3)19-22;1-26-25(32)17-8-20(10-21(9-17)33-3)31(14-16-4-5-16)19-6-7-22-23(11-19)29-24(13-27-22)18-12-28-30(2)15-18;1-16(2)26-7-8-31(20-9-18(25)10-21(11-20)32-4)19-5-6-22-23(12-19)29-24(14-27-22)17-13-28-30(3)15-17/h7-8,11-16,19-21H,6,9-10,17-18H2,1-5H3;6-13,15-16H,4-5,14H2,1-3H3,(H,26,32);5-6,9-16,26H,7-8H2,1-4H3/t20-,21+
• InChIKey: VSYDGKRHOIRRIW-UPAKMEFQSA-N
• XLogP: 12.95
• TPSA: 231.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.69
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The IUPAC name of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine (CID 165084955) is 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine.

What is the SMILES notation for 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The canonical SMILES for 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine is CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2C[C@@H](C)O[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The InChIKey is VSYDGKRHOIRRIW-UPAKMEFQSA-N. The full InChI is InChI=1S/C29H36N6O3.C25H26N6O2.C24H27FN6O/c1-20-17-34(18-21(2)38-20)9-6-10-35(24-11-25(36-4)14-26(12-24)37-5)23-7-8-27-28(13-23)32-29(16-30-27)22-15-31-33(3)19-22;1-26-25(32)17-8-20(10-21(9-17)33-3)31(14-16-4-5-16)19-6-7-22-23(11-19)29-24(13-27-22)18-12-28-30(2)15-18;1-16(2)26-7-8-31(20-9-18(25)10-21(11-20)32-4)19-5-6-22-23(12-19)29-24(14-27-22)17-13-28-30(3)15-17/h7-8,11-16,19-21H,6,9-10,17-18H2,1-5H3;6-13,15-16H,4-5,14H2,1-3H3,(H,26,32);5-6,9-16,26H,7-8H2,1-4H3/t20-,21+;;.

What are the key properties of 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine?

3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 1393.69 g/mol, XLogP of 12.95, 24 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 165084955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).