3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

C104H120F2N24O10 — CID 158617729

About 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 158617729) has the molecular formula C104H120F2N24O10 and a molecular weight of 1904.26 g/mol. Its IUPAC name is 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• PubChem CID: 158617729
• Molecular Formula: C104H120F2N24O10
• Molecular Weight: 1904.26 g/mol
• Exact Mass: 1902.96
• IUPAC Name: 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• SMILES: CNC(=O)c1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC(C)(C)C)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)c(C)c(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC(F)(F)C2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1
• InChI: InChI=1S/C31H36F2N6O3.C27H34N6O2.C23H25N7O2.C23H25N5O3/c1-40-25-14-24(15-26(17-25)41-2)38(11-5-10-37-12-9-31(32,33)21-37)23-7-8-27-28(16-23)36-29(19-34-27)22-18-35-39(20-22)30-6-3-4-13-42-30;1-18(2)28-9-10-33(21-11-22(34-6)14-23(12-21)35-27(3,4)5)20-7-8-24-25(13-20)32-26(17-29-24)19-15-30-31-16-19;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;1-15-22(10-18(30-3)11-23(15)31-4)28(7-8-29)17-5-6-19-20(9-17)26-21(13-24-19)16-12-25-27(2)14-16/h7-8,14-20,30H,3-6,9-13,21H2,1-2H3;7-8,11-18,28H,9-10H2,1-6H3,(H,30,31);4-5,8-14H,6-7,24H2,1-3H3,(H,25,31);5-6,9-14,29H,7-8H2,1-4H3
• InChIKey: HXPFQUSDYHCJBH-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 362.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.26
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (CID 158617729) is 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is CNC(=O)c1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC(C)(C)C)cc(N(CCNC(C)C)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.COc1cc(OC)c(C)c(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC(F)(F)C2)c2ccc3ncc(-c4cnn(C5CCCCO5)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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The InChIKey is HXPFQUSDYHCJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F2N6O3.C27H34N6O2.C23H25N7O2.C23H25N5O3/c1-40-25-14-24(15-26(17-25)41-2)38(11-5-10-37-12-9-31(32,33)21-37)23-7-8-27-28(16-23)36-29(19-34-27)22-18-35-39(20-22)30-6-3-4-13-42-30;1-18(2)28-9-10-33(21-11-22(34-6)14-23(12-21)35-27(3,4)5)20-7-8-24-25(13-20)32-26(17-29-24)19-15-30-31-16-19;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;1-15-22(10-18(30-3)11-23(15)31-4)28(7-8-29)17-5-6-19-20(9-17)26-21(13-24-19)16-12-25-27(2)14-16/h7-8,14-20,30H,3-6,9-13,21H2,1-2H3;7-8,11-18,28H,9-10H2,1-6H3,(H,30,31);4-5,8-14H,6-7,24H2,1-3H3,(H,25,31);5-6,9-14,29H,7-8H2,1-4H3.

What are the key properties of 3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 1904.26 g/mol, XLogP of 17.40, 33 rotatable bonds, 5 hydrogen bond donors, and 32 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-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 158617729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).