4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline

C120H99Cl5F2N30 — CID 158297354

About 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline

4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline (PubChem CID 158297354) has the molecular formula C120H99Cl5F2N30 and a molecular weight of 2176.58 g/mol. Its IUPAC name is 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline.

Molecular Properties

• Compound Name: 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
• PubChem CID: 158297354
• Molecular Formula: C120H99Cl5F2N30
• Molecular Weight: 2176.58 g/mol
• Exact Mass: 2172.71
• IUPAC Name: 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
• SMILES: C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)ccn1)c1ccc(F)cc1.C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)ccn1)c1ccccc1.C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)cnc1F)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(-c4ccncc4)nc23)c1)c1ccccc1.C[C@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)nc23)c1)c1ccccc1.C[C@H](Nc1cncc(-c2c[nH]c3ncc(Cl)nc23)c1)c1ccccc1
• InChI: InChI=1S/C25H21N5.2C19H15ClFN5.3C19H16ClN5/c1-17(18-6-3-2-4-7-18)29-21-9-5-8-20(14-21)22-15-27-25-24(22)30-23(16-28-25)19-10-12-26-13-11-19;1-11(12-2-4-14(21)5-3-12)25-17-8-13(6-7-22-17)15-9-23-19-18(15)26-16(20)10-24-19;1-11(12-5-3-2-4-6-12)25-15-7-13(8-22-18(15)21)14-9-23-19-17(14)26-16(20)10-24-19;1-12(13-5-3-2-4-6-13)24-15-7-14(8-21-9-15)16-10-22-19-18(16)25-17(20)11-23-19;1-12(13-5-3-2-4-6-13)24-14-7-8-21-16(9-14)15-10-22-19-18(15)25-17(20)11-23-19;1-12(13-5-3-2-4-6-13)24-17-9-14(7-8-21-17)15-10-22-19-18(15)25-16(20)11-23-19/h2-17,29H,1H3,(H,27,28);2-11H,1H3,(H,22,25)(H,23,24);2-11,25H,1H3,(H,23,24);2-12,24H,1H3,(H,22,23);2*2-12H,1H3,(H,21,24)(H,22,23)/t17-;2*11-;3*12-/m000000/s1
• InChIKey: GMBPEAOGNKSNAM-UAXJUUFZSA-N
• XLogP: 30.37
• TPSA: 398.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2176.58
LogP ≤ 5	30.37
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?

The IUPAC name of 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline (CID 158297354) is 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline.

What is the SMILES notation for 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?

The canonical SMILES for 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline is C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)ccn1)c1ccc(F)cc1.C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)ccn1)c1ccccc1.C[C@H](Nc1cc(-c2c[nH]c3ncc(Cl)nc23)cnc1F)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(-c4ccncc4)nc23)c1)c1ccccc1.C[C@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)nc23)c1)c1ccccc1.C[C@H](Nc1cncc(-c2c[nH]c3ncc(Cl)nc23)c1)c1ccccc1.

What is the InChIKey of 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?

The InChIKey is GMBPEAOGNKSNAM-UAXJUUFZSA-N. The full InChI is InChI=1S/C25H21N5.2C19H15ClFN5.3C19H16ClN5/c1-17(18-6-3-2-4-7-18)29-21-9-5-8-20(14-21)22-15-27-25-24(22)30-23(16-28-25)19-10-12-26-13-11-19;1-11(12-2-4-14(21)5-3-12)25-17-8-13(6-7-22-17)15-9-23-19-18(15)26-16(20)10-24-19;1-11(12-5-3-2-4-6-12)25-15-7-13(8-22-18(15)21)14-9-23-19-17(14)26-16(20)10-24-19;1-12(13-5-3-2-4-6-13)24-15-7-14(8-21-9-15)16-10-22-19-18(16)25-17(20)11-23-19;1-12(13-5-3-2-4-6-13)24-14-7-8-21-16(9-14)15-10-22-19-18(15)25-17(20)11-23-19;1-12(13-5-3-2-4-6-13)24-17-9-14(7-8-21-17)15-10-22-19-18(15)25-16(20)11-23-19/h2-17,29H,1H3,(H,27,28);2-11H,1H3,(H,22,25)(H,23,24);2-11,25H,1H3,(H,23,24);2-12,24H,1H3,(H,22,23);2*2-12H,1H3,(H,21,24)(H,22,23)/t17-;2*11-;3*12-/m000000/s1.

What are the key properties of 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?

4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline has a molecular weight of 2176.58 g/mol, XLogP of 30.37, 25 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]pyridin-3-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-4-amine;4-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]pyridin-3-amine;N-[(1S)-1-phenylethyl]-3-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline is sourced from PubChem (CID 158297354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).