N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine

C115H105F5N24O9 — CID 158129074

About N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine

N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine (PubChem CID 158129074) has the molecular formula C115H105F5N24O9 and a molecular weight of 2062.25 g/mol. Its IUPAC name is N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine
• PubChem CID: 158129074
• Molecular Formula: C115H105F5N24O9
• Molecular Weight: 2062.25 g/mol
• Exact Mass: 2060.84
• IUPAC Name: N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC#CC2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ncccc2C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2c2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccnc(C#CCN(c2ccc3ncc(-c4cnn(C)c4)nc3c2)c2c(F)c(OC)cc(OC)c2F)n1
• InChI: InChI=1S/C29H23F3N6O2.C29H28N6O2.C29H31N5O2.C28H23F2N7O3/c1-37-18-19(16-35-37)28-17-34-26-9-8-20(14-27(26)36-28)38(21-12-22(39-2)15-23(13-21)40-3)11-5-7-25-24(29(30,31)32)6-4-10-33-25;1-34-17-21(15-32-34)29-16-31-27-5-4-22(13-28(27)33-29)35(23-11-24(36-2)14-25(12-23)37-3)18-20-10-26(20)19-6-8-30-9-7-19;1-33-20-22(18-31-33)29-19-30-27-12-11-23(16-28(27)32-29)34(13-7-10-21-8-5-4-6-9-21)24-14-25(35-2)17-26(15-24)36-3;1-36-16-17(14-33-36)21-15-32-19-8-7-18(12-20(19)34-21)37(11-5-6-24-31-10-9-25(35-24)40-4)28-26(29)22(38-2)13-23(39-3)27(28)30/h4,6,8-10,12-18H,11H2,1-3H3;4-9,11-17,20,26H,10,18H2,1-3H3;11-12,14-21H,4-6,8-9,13H2,1-3H3;7-10,12-16H,11H2,1-4H3
• InChIKey: FSNUWAZCKQNKHI-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 321.99 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.25
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine?

The IUPAC name of N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine (CID 158129074) is N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine.

What is the SMILES notation for N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine?

The canonical SMILES for N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine is COc1cc(OC)cc(N(CC#CC2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ncccc2C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2c2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccnc(C#CCN(c2ccc3ncc(-c4cnn(C)c4)nc3c2)c2c(F)c(OC)cc(OC)c2F)n1.

What is the InChIKey of N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine?

The InChIKey is FSNUWAZCKQNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N6O2.C29H28N6O2.C29H31N5O2.C28H23F2N7O3/c1-37-18-19(16-35-37)28-17-34-26-9-8-20(14-27(26)36-28)38(21-12-22(39-2)15-23(13-21)40-3)11-5-7-25-24(29(30,31)32)6-4-10-33-25;1-34-17-21(15-32-34)29-16-31-27-5-4-22(13-28(27)33-29)35(23-11-24(36-2)14-25(12-23)37-3)18-20-10-26(20)19-6-8-30-9-7-19;1-33-20-22(18-31-33)29-19-30-27-12-11-23(16-28(27)32-29)34(13-7-10-21-8-5-4-6-9-21)24-14-25(35-2)17-26(15-24)36-3;1-36-16-17(14-33-36)21-15-32-19-8-7-18(12-20(19)34-21)37(11-5-6-24-31-10-9-25(35-24)40-4)28-26(29)22(38-2)13-23(39-3)27(28)30/h4,6,8-10,12-18H,11H2,1-3H3;4-9,11-17,20,26H,10,18H2,1-3H3;11-12,14-21H,4-6,8-9,13H2,1-3H3;7-10,12-16H,11H2,1-4H3.

What are the key properties of N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine?

N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine has a molecular weight of 2062.25 g/mol, XLogP of 21.12, 27 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclohexylprop-2-ynyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[(2-pyridin-4-ylcyclopropyl)methyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-ynyl]quinoxalin-6-amine is sourced from PubChem (CID 158129074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).