N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline

C118H101Cl6F4N31O3 — CID 159859670

About N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline

N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline (PubChem CID 159859670) has the molecular formula C118H101Cl6F4N31O3 and a molecular weight of 2290.03 g/mol. Its IUPAC name is N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline.

Molecular Properties

• Compound Name: N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline
• PubChem CID: 159859670
• Molecular Formula: C118H101Cl6F4N31O3
• Molecular Weight: 2290.03 g/mol
• Exact Mass: 2285.68
• IUPAC Name: N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline
• SMILES: COc1cccc([C@H](C)Nc2nc(-c3c[nH]c4ncc(Cl)nc34)ncc2F)c1.C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)ccc1F)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(Cl)nc23)c1)c1ccccc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(O)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(OCCN(C)C)c1.Clc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)c3)c2n1
• InChI: InChI=1S/C22H23ClFN7O.C20H16ClFN4.C20H17ClN4.C19H16ClFN6O.C19H15ClN4.C18H14ClFN6O/c1-13(14-5-4-6-15(9-14)32-8-7-31(2)3)28-21-17(24)11-26-20(30-21)16-10-25-22-19(16)29-18(23)12-27-22;1-12(13-5-3-2-4-6-13)25-17-9-14(7-8-16(17)22)15-10-23-20-19(15)26-18(21)11-24-20;1-13(14-6-3-2-4-7-14)24-16-9-5-8-15(10-16)17-11-22-20-19(17)25-18(21)12-23-20;1-10(11-4-3-5-12(6-11)28-2)25-18-14(21)8-23-17(27-18)13-7-22-19-16(13)26-15(20)9-24-19;20-17-12-23-19-18(24-17)16(11-22-19)14-7-4-8-15(9-14)21-10-13-5-2-1-3-6-13;1-9(10-3-2-4-11(27)5-10)24-17-13(20)7-22-16(26-17)12-6-21-18-15(12)25-14(19)8-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,25,27)(H,26,28,30);2-12,25H,1H3,(H,23,24);2-13,24H,1H3,(H,22,23);3-10H,1-2H3,(H,22,24)(H,23,25,27);1-9,11-12,21H,10H2,(H,22,23);2-9,27H,1H3,(H,21,23)(H,22,24,26)/t13-;12-;13-;10-;;9-/m0000.0/s1
• InChIKey: NQZBQYNMPLDJNS-NAQBZITJSA-N
• XLogP: 28.73
• TPSA: 440.87 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.03
LogP ≤ 5	28.73
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline?

The IUPAC name of N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline (CID 159859670) is N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline.

What is the SMILES notation for N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline?

The canonical SMILES for N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline is COc1cccc([C@H](C)Nc2nc(-c3c[nH]c4ncc(Cl)nc34)ncc2F)c1.C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)ccc1F)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(Cl)nc23)c1)c1ccccc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(O)c1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1cccc(OCCN(C)C)c1.Clc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)c3)c2n1.

What is the InChIKey of N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline?

The InChIKey is NQZBQYNMPLDJNS-NAQBZITJSA-N. The full InChI is InChI=1S/C22H23ClFN7O.C20H16ClFN4.C20H17ClN4.C19H16ClFN6O.C19H15ClN4.C18H14ClFN6O/c1-13(14-5-4-6-15(9-14)32-8-7-31(2)3)28-21-17(24)11-26-20(30-21)16-10-25-22-19(16)29-18(23)12-27-22;1-12(13-5-3-2-4-6-13)25-17-9-14(7-8-16(17)22)15-10-23-20-19(15)26-18(21)11-24-20;1-13(14-6-3-2-4-7-14)24-16-9-5-8-15(10-16)17-11-22-20-19(17)25-18(21)12-23-20;1-10(11-4-3-5-12(6-11)28-2)25-18-14(21)8-23-17(27-18)13-7-22-19-16(13)26-15(20)9-24-19;20-17-12-23-19-18(24-17)16(11-22-19)14-7-4-8-15(9-14)21-10-13-5-2-1-3-6-13;1-9(10-3-2-4-11(27)5-10)24-17-13(20)7-22-16(26-17)12-6-21-18-15(12)25-14(19)8-23-18/h4-6,9-13H,7-8H2,1-3H3,(H,25,27)(H,26,28,30);2-12,25H,1H3,(H,23,24);2-13,24H,1H3,(H,22,23);3-10H,1-2H3,(H,22,24)(H,23,25,27);1-9,11-12,21H,10H2,(H,22,23);2-9,27H,1H3,(H,21,23)(H,22,24,26)/t13-;12-;13-;10-;;9-/m0000.0/s1.

What are the key properties of N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline?

N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline has a molecular weight of 2290.03 g/mol, XLogP of 28.73, 29 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-5-fluoropyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrimidin-4-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-[(1S)-1-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoropyrimidin-4-yl]amino]ethyl]phenol;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline is sourced from PubChem (CID 159859670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).