N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide

C96H78Cl7F3N32O2 — CID 157051716

About N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide

N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 157051716) has the molecular formula C96H78Cl7F3N32O2 and a molecular weight of 2017.07 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide
• PubChem CID: 157051716
• Molecular Formula: C96H78Cl7F3N32O2
• Molecular Weight: 2017.07 g/mol
• Exact Mass: 2012.48
• IUPAC Name: N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide
• SMILES: CNc1cccc(-c2c[nH]c3ncc(Cl)nc23)n1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1ccccc1.Clc1cccc(Nc2cccc(-c3c[nH]c4ncc(Cl)nc34)n2)c1.O=C(Nc1cccc(-c2c[nH]c3ncc(Cl)nc23)n1)C1CCCCC1.OCCNc1cccc(-c2c[nH]c3ncc(Cl)nc23)n1
• InChI: InChI=1S/C18H13ClF2N6.C18H14ClFN6.C18H18ClN5O.C17H11Cl2N5.C13H12ClN5O.C12H10ClN5/c1-9(10-2-4-11(20)5-3-10)25-17-13(21)7-23-16(27-17)12-6-22-18-15(12)26-14(19)8-24-18;1-10(11-5-3-2-4-6-11)24-17-13(20)8-22-16(26-17)12-7-21-18-15(12)25-14(19)9-23-18;19-14-10-21-17-16(23-14)12(9-20-17)13-7-4-8-15(22-13)24-18(25)11-5-2-1-3-6-11;18-10-3-1-4-11(7-10)22-15-6-2-5-13(23-15)12-8-20-17-16(12)24-14(19)9-21-17;14-10-7-17-13-12(19-10)8(6-16-13)9-2-1-3-11(18-9)15-4-5-20;1-14-10-4-2-3-8(17-10)7-5-15-12-11(7)18-9(13)6-16-12/h2-9H,1H3,(H,22,24)(H,23,25,27);2-10H,1H3,(H,21,23)(H,22,24,26);4,7-11H,1-3,5-6H2,(H,20,21)(H,22,24,25);1-9H,(H,20,21)(H,22,23);1-3,6-7,20H,4-5H2,(H,15,18)(H,16,17);2-6H,1H3,(H,14,17)(H,15,16)/t9-;10-;;;;/m00..../s1
• InChIKey: AAHBAFRQECMXDN-DDOOFSACSA-N
• XLogP: 22.95
• TPSA: 462.02 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.07
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide?

The IUPAC name of N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide (CID 157051716) is N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide?

The canonical SMILES for N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide is CNc1cccc(-c2c[nH]c3ncc(Cl)nc23)n1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1ccc(F)cc1.C[C@H](Nc1nc(-c2c[nH]c3ncc(Cl)nc23)ncc1F)c1ccccc1.Clc1cccc(Nc2cccc(-c3c[nH]c4ncc(Cl)nc34)n2)c1.O=C(Nc1cccc(-c2c[nH]c3ncc(Cl)nc23)n1)C1CCCCC1.OCCNc1cccc(-c2c[nH]c3ncc(Cl)nc23)n1.

What is the InChIKey of N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide?

The InChIKey is AAHBAFRQECMXDN-DDOOFSACSA-N. The full InChI is InChI=1S/C18H13ClF2N6.C18H14ClFN6.C18H18ClN5O.C17H11Cl2N5.C13H12ClN5O.C12H10ClN5/c1-9(10-2-4-11(20)5-3-10)25-17-13(21)7-23-16(27-17)12-6-22-18-15(12)26-14(19)8-24-18;1-10(11-5-3-2-4-6-11)24-17-13(20)8-22-16(26-17)12-7-21-18-15(12)25-14(19)9-23-18;19-14-10-21-17-16(23-14)12(9-20-17)13-7-4-8-15(22-13)24-18(25)11-5-2-1-3-6-11;18-10-3-1-4-11(7-10)22-15-6-2-5-13(23-15)12-8-20-17-16(12)24-14(19)9-21-17;14-10-7-17-13-12(19-10)8(6-16-13)9-2-1-3-11(18-9)15-4-5-20;1-14-10-4-2-3-8(17-10)7-5-15-12-11(7)18-9(13)6-16-12/h2-9H,1H3,(H,22,24)(H,23,25,27);2-10H,1H3,(H,21,23)(H,22,24,26);4,7-11H,1-3,5-6H2,(H,20,21)(H,22,24,25);1-9H,(H,20,21)(H,22,23);1-3,6-7,20H,4-5H2,(H,15,18)(H,16,17);2-6H,1H3,(H,14,17)(H,15,16)/t9-;10-;;;;/m00..../s1.

What are the key properties of N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide?

N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 2017.07 g/mol, XLogP of 22.95, 20 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(1S)-1-phenylethyl]pyrimidin-4-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol;N-[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 157051716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).