2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide

C92H79N15O9S2 — CID 157202625

About 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide

2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 157202625) has the molecular formula C92H79N15O9S2 and a molecular weight of 1602.87 g/mol. Its IUPAC name is 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide
• PubChem CID: 157202625
• Molecular Formula: C92H79N15O9S2
• Molecular Weight: 1602.87 g/mol
• Exact Mass: 1601.56
• IUPAC Name: 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide
• SMILES: N#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1NC(=O)C1CC1.N#Cc1cc(-c2ccnc3c2cc(-c2ccc(N4CCOCC4)cc2)n3S(=O)(=O)c2ccccc2)ccc1N.N#Cc1cc(-c2ccnc3c2cc(-c2ccc(N4CCOCC4)cc2)n3S(=O)(=O)c2ccccc2)ccc1NC(=O)C1CC1
• InChI: InChI=1S/C34H29N5O4S.C30H25N5O3S.C28H25N5O2/c35-22-26-20-25(10-13-31(26)37-34(40)24-6-7-24)29-14-15-36-33-30(29)21-32(39(33)44(41,42)28-4-2-1-3-5-28)23-8-11-27(12-9-23)38-16-18-43-19-17-38;31-20-23-18-22(8-11-28(23)32)26-12-13-33-30-27(26)19-29(35(30)39(36,37)25-4-2-1-3-5-25)21-6-9-24(10-7-21)34-14-16-38-17-15-34;29-17-21-15-20(5-8-25(21)32-28(34)19-1-2-19)23-9-10-30-27-24(23)16-26(31-27)18-3-6-22(7-4-18)33-11-13-35-14-12-33/h1-5,8-15,20-21,24H,6-7,16-19H2,(H,37,40);1-13,18-19H,14-17,32H2;3-10,15-16,19H,1-2,11-14H2,(H,30,31)(H,32,34)
• InChIKey: AQYZMKZMCDIGQK-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 325.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1602.87
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?

The IUPAC name of 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide (CID 157202625) is 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide.

What is the SMILES notation for 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?

The canonical SMILES for 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide is N#Cc1cc(-c2ccnc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1NC(=O)C1CC1.N#Cc1cc(-c2ccnc3c2cc(-c2ccc(N4CCOCC4)cc2)n3S(=O)(=O)c2ccccc2)ccc1N.N#Cc1cc(-c2ccnc3c2cc(-c2ccc(N4CCOCC4)cc2)n3S(=O)(=O)c2ccccc2)ccc1NC(=O)C1CC1.

What is the InChIKey of 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?

The InChIKey is AQYZMKZMCDIGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O4S.C30H25N5O3S.C28H25N5O2/c35-22-26-20-25(10-13-31(26)37-34(40)24-6-7-24)29-14-15-36-33-30(29)21-32(39(33)44(41,42)28-4-2-1-3-5-28)23-8-11-27(12-9-23)38-16-18-43-19-17-38;31-20-23-18-22(8-11-28(23)32)26-12-13-33-30-27(26)19-29(35(30)39(36,37)25-4-2-1-3-5-25)21-6-9-24(10-7-21)34-14-16-38-17-15-34;29-17-21-15-20(5-8-25(21)32-28(34)19-1-2-19)23-9-10-30-27-24(23)16-26(31-27)18-3-6-22(7-4-18)33-11-13-35-14-12-33/h1-5,8-15,20-21,24H,6-7,16-19H2,(H,37,40);1-13,18-19H,14-17,32H2;3-10,15-16,19H,1-2,11-14H2,(H,30,31)(H,32,34).

What are the key properties of 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide?

2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 1602.87 g/mol, XLogP of 15.52, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide;N-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 157202625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).