N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide

C94H71ClN20O5 — CID 161260207

About N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide

N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (PubChem CID 161260207) has the molecular formula C94H71ClN20O5 and a molecular weight of 1596.19 g/mol. Its IUPAC name is N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
• PubChem CID: 161260207
• Molecular Formula: C94H71ClN20O5
• Molecular Weight: 1596.19 g/mol
• Exact Mass: 1594.56
• IUPAC Name: N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(CO)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(Cl)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C24H19N5O2.C24H19N5O.C23H16ClN5O.C23H17N5O/c1-2-22(31)27-17-5-3-4-15(9-17)21-12-26-24-23(29-21)18(11-25-24)20-10-16-7-6-14(13-30)8-19(16)28-20;1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20;1-2-21(30)27-16-5-3-4-13(8-16)20-12-26-23-22(29-20)17(11-25-23)19-9-14-6-7-15(24)10-18(14)28-19;1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19/h2-12,28,30H,1,13H2,(H,25,26)(H,27,31);3-13,28H,1H2,2H3,(H,25,26)(H,27,30);2-12,28H,1H2,(H,25,26)(H,27,30);2-13,27H,1H2,(H,24,25)(H,26,29)
• InChIKey: VCLJENYJJXPRSF-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 366.07 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1596.19
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (CID 161260207) is N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(CO)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(Cl)cc5[nH]4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)c3n2)c1.

What is the InChIKey of N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

The InChIKey is VCLJENYJJXPRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2.C24H19N5O.C23H16ClN5O.C23H17N5O/c1-2-22(31)27-17-5-3-4-15(9-17)21-12-26-24-23(29-21)18(11-25-24)20-10-16-7-6-14(13-30)8-19(16)28-20;1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20;1-2-21(30)27-16-5-3-4-13(8-16)20-12-26-23-22(29-20)17(11-25-23)19-9-14-6-7-15(24)10-18(14)28-19;1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19/h2-12,28,30H,1,13H2,(H,25,26)(H,27,31);3-13,28H,1H2,2H3,(H,25,26)(H,27,30);2-12,28H,1H2,(H,25,26)(H,27,30);2-13,27H,1H2,(H,24,25)(H,26,29).

What are the key properties of N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide has a molecular weight of 1596.19 g/mol, XLogP of 20.04, 17 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-(6-chloro-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[6-(hydroxymethyl)-1H-indol-2-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 161260207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).