N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

C100H112F3N21O10 — CID 157348752

About N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine

N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (PubChem CID 157348752) has the molecular formula C100H112F3N21O10 and a molecular weight of 1825.13 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• PubChem CID: 157348752
• Molecular Formula: C100H112F3N21O10
• Molecular Weight: 1825.13 g/mol
• Exact Mass: 1823.89
• IUPAC Name: N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
• SMILES: CCCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C4CCCCO4)c3)nc2c1.CC[C@@H](C)N(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CCNCCF)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H](O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H33N5O3.C24H25F2N5O3.C24H27FN6O2.C24H27N5O2/c1-4-5-11-32(22-13-23(34-2)16-24(14-22)35-3)21-9-10-25-26(15-21)31-27(18-29-25)20-17-30-33(19-20)28-8-6-7-12-36-28;1-24(25,26)23(32)14-31(17-7-18(33-3)10-19(8-17)34-4)16-5-6-20-21(9-16)29-22(12-27-20)15-11-28-30(2)13-15;1-30-16-17(14-28-30)24-15-27-22-5-4-18(12-23(22)29-24)31(9-8-26-7-6-25)19-10-20(32-2)13-21(11-19)33-3;1-6-16(2)29(19-9-20(30-4)12-21(10-19)31-5)18-7-8-22-23(11-18)27-24(14-25-22)17-13-26-28(3)15-17/h9-10,13-19,28H,4-8,11-12H2,1-3H3;5-13,23,32H,14H2,1-4H3;4-5,10-16,26H,6-9H2,1-3H3;7-16H,6H2,1-5H3/t;23-;;16-/m.0.1/s1
• InChIKey: BHGZDSKIEFLDQM-CDWJXUAFSA-N
• XLogP: 19.08
• TPSA: 302.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1825.13
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The IUPAC name of N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine (CID 157348752) is N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine.

What is the SMILES notation for N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The canonical SMILES for N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is CCCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C4CCCCO4)c3)nc2c1.CC[C@@H](C)N(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CCNCCF)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(C[C@H](O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

The InChIKey is BHGZDSKIEFLDQM-CDWJXUAFSA-N. The full InChI is InChI=1S/C28H33N5O3.C24H25F2N5O3.C24H27FN6O2.C24H27N5O2/c1-4-5-11-32(22-13-23(34-2)16-24(14-22)35-3)21-9-10-25-26(15-21)31-27(18-29-25)20-17-30-33(19-20)28-8-6-7-12-36-28;1-24(25,26)23(32)14-31(17-7-18(33-3)10-19(8-17)34-4)16-5-6-20-21(9-16)29-22(12-27-20)15-11-28-30(2)13-15;1-30-16-17(14-28-30)24-15-27-22-5-4-18(12-23(22)29-24)31(9-8-26-7-6-25)19-10-20(32-2)13-21(11-19)33-3;1-6-16(2)29(19-9-20(30-4)12-21(10-19)31-5)18-7-8-22-23(11-18)27-24(14-25-22)17-13-26-28(3)15-17/h9-10,13-19,28H,4-8,11-12H2,1-3H3;5-13,23,32H,14H2,1-4H3;4-5,10-16,26H,6-9H2,1-3H3;7-16H,6H2,1-5H3/t;23-;;16-/m.0.1/s1.

What are the key properties of N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine?

N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine has a molecular weight of 1825.13 g/mol, XLogP of 19.08, 34 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-butyl-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;(2S)-1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3,3-difluorobutan-2-ol;N'-(3,5-dimethoxyphenyl)-N-(2-fluoroethyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 157348752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).