1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one

C119H100N32O6 — CID 158033437

About 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one

1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one (PubChem CID 158033437) has the molecular formula C119H100N32O6 and a molecular weight of 2074.33 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one
• PubChem CID: 158033437
• Molecular Formula: C119H100N32O6
• Molecular Weight: 2074.33 g/mol
• Exact Mass: 2072.85
• IUPAC Name: 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one
• SMILES: CC1CN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC(C)O1.Cc1ccc(-c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)cn1.Cn1nccc1-c1ccnc2c1ccn2CC(=O)Cc1ccc(-c2cnccn2)cn1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(-c3cccnc3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(-c3cnc[nH]3)ccnc21
• InChI: InChI=1S/C25H26N6O2.C25H20N6O.C24H18N6O.C23H19N7O.C22H17N7O/c1-17-14-31(15-18(2)33-17)24-5-7-28-25-22(24)6-10-30(25)16-21(32)11-20-4-3-19(12-29-20)23-13-26-8-9-27-23;1-17-2-3-18(13-29-17)22-6-8-28-25-23(22)7-11-31(25)16-21(32)12-20-5-4-19(14-30-20)24-15-26-9-10-27-24;31-20(12-19-4-3-18(14-29-19)23-15-26-9-10-27-23)16-30-11-6-22-21(5-8-28-24(22)30)17-2-1-7-25-13-17;1-29-22(5-8-28-29)19-4-7-26-23-20(19)6-11-30(23)15-18(31)12-17-3-2-16(13-27-17)21-14-24-9-10-25-21;30-17(9-16-2-1-15(10-27-16)20-11-23-6-7-25-20)13-29-8-4-19-18(3-5-26-22(19)29)21-12-24-14-28-21/h3-10,12-13,17-18H,11,14-16H2,1-2H3;2-11,13-15H,12,16H2,1H3;1-11,13-15H,12,16H2;2-11,13-14H,12,15H2,1H3;1-8,10-12,14H,9,13H2,(H,24,28)
• InChIKey: FHLNTWZHPKXJFF-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 452.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.33
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one?

The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one (CID 158033437) is 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one.

What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one?

The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one is CC1CN(c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)CC(C)O1.Cc1ccc(-c2ccnc3c2ccn3CC(=O)Cc2ccc(-c3cnccn3)cn2)cn1.Cn1nccc1-c1ccnc2c1ccn2CC(=O)Cc1ccc(-c2cnccn2)cn1.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(-c3cccnc3)ccnc21.O=C(Cc1ccc(-c2cnccn2)cn1)Cn1ccc2c(-c3cnc[nH]3)ccnc21.

What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one?

The InChIKey is FHLNTWZHPKXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2.C25H20N6O.C24H18N6O.C23H19N7O.C22H17N7O/c1-17-14-31(15-18(2)33-17)24-5-7-28-25-22(24)6-10-30(25)16-21(32)11-20-4-3-19(12-29-20)23-13-26-8-9-27-23;1-17-2-3-18(13-29-17)22-6-8-28-25-23(22)7-11-31(25)16-21(32)12-20-5-4-19(14-30-20)24-15-26-9-10-27-24;31-20(12-19-4-3-18(14-29-19)23-15-26-9-10-27-23)16-30-11-6-22-21(5-8-28-24(22)30)17-2-1-7-25-13-17;1-29-22(5-8-28-29)19-4-7-26-23-20(19)6-11-30(23)15-18(31)12-17-3-2-16(13-27-17)21-14-24-9-10-25-21;30-17(9-16-2-1-15(10-27-16)20-11-23-6-7-25-20)13-29-8-4-19-18(3-5-26-22(19)29)21-12-24-14-28-21/h3-10,12-13,17-18H,11,14-16H2,1-2H3;2-11,13-15H,12,16H2,1H3;1-11,13-15H,12,16H2;2-11,13-14H,12,15H2,1H3;1-8,10-12,14H,9,13H2,(H,24,28).

What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one?

1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one has a molecular weight of 2074.33 g/mol, XLogP of 17.34, 30 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-(5-pyrazin-2-yl-2-pyridinyl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propan-2-one is sourced from PubChem (CID 158033437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).