3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

C74H87N19O7 — CID 162083852

About 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 162083852) has the molecular formula C74H87N19O7 and a molecular weight of 1357.65 g/mol. Its IUPAC name is 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• PubChem CID: 162083852
• Molecular Formula: C74H87N19O7
• Molecular Weight: 1357.65 g/mol
• Exact Mass: 1356.72
• IUPAC Name: 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• SMILES: C.CNC(=O)c1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.[2H]C([2H])([2H])Oc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
• InChI: InChI=1S/C26H30N6O3.C24H28N6O2.C23H25N7O2.CH4/c1-33-20-7-9-25(34-2)24(14-20)31(11-10-27)19-6-8-21-22(13-19)30-23(16-28-21)18-15-29-32(17-18)26-5-3-4-12-35-26;1-16(2)25-7-8-30(19-9-20(31-3)12-21(10-19)32-4)18-5-6-22-23(11-18)29-24(15-26-22)17-13-27-28-14-17;1-25-23(31)15-8-18(10-19(9-15)32-3)30(7-6-24)17-4-5-20-21(11-17)28-22(13-26-20)16-12-27-29(2)14-16;/h6-9,13-17,26H,3-5,10-12,27H2,1-2H3;5-6,9-16,25H,7-8H2,1-4H3,(H,27,28);4-5,8-14H,6-7,24H2,1-3H3,(H,25,31);1H4/i;3D3
• InChIKey: ZCRSHGYAMJOKIG-IRRNOYRMSA-N
• XLogP: 11.61
• TPSA: 299.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.65
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The IUPAC name of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (CID 162083852) is 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

What is the SMILES notation for 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The canonical SMILES for 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is C.CNC(=O)c1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(OC)c(N(CCN)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.[2H]C([2H])([2H])Oc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.

What is the InChIKey of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The InChIKey is ZCRSHGYAMJOKIG-IRRNOYRMSA-N. The full InChI is InChI=1S/C26H30N6O3.C24H28N6O2.C23H25N7O2.CH4/c1-33-20-7-9-25(34-2)24(14-20)31(11-10-27)19-6-8-21-22(13-19)30-23(16-28-21)18-15-29-32(17-18)26-5-3-4-12-35-26;1-16(2)25-7-8-30(19-9-20(31-3)12-21(10-19)32-4)18-5-6-22-23(11-18)29-24(15-26-22)17-13-27-28-14-17;1-25-23(31)15-8-18(10-19(9-15)32-3)30(7-6-24)17-4-5-20-21(11-17)28-22(13-26-20)16-12-27-29(2)14-16;/h6-9,13-17,26H,3-5,10-12,27H2,1-2H3;5-6,9-16,25H,7-8H2,1-4H3,(H,27,28);4-5,8-14H,6-7,24H2,1-3H3,(H,25,31);1H4/i;3D3;;.

What are the key properties of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 1357.65 g/mol, XLogP of 11.61, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;methane;N'-[3-methoxy-5-(trideuteriomethoxy)phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 162083852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).