2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid

C₈₈H₈₄I₂N₂₄O₇S — CID 158130467

About 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid

2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid (PubChem CID 158130467) has the molecular formula C₈₈H₈₄I₂N₂₄O₇S and a molecular weight of 1875.68 g/mol. Its IUPAC name is 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
• PubChem CID: 158130467
• Molecular Formula: C₈₈H₈₄I₂N₂₄O₇S
• Molecular Weight: 1875.68 g/mol
• Exact Mass: 1874.48
• IUPAC Name: 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
• SMILES: CC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(I)cc3c2)n1.CC(C)(N)C#N.Cc1nn(C(C)C)cc1-c1cc2cc(-c3cccc(C(=O)NC(C)(C)C#N)n3)cnc2[nH]1.Cc1nn(C(C)C)cc1-c1cc2cc(-c3cccc(C(=O)NC(C)(C)C#N)n3)cnc2n1S(=O)(=O)c1ccccc1.O=C(O)c1cccc(-c2cnc3[nH]c(I)cc3c2)n1
• InChI: InChI=1S/C30H29N7O3S.C24H25N7O.C17H14IN5O.C13H8IN3O2.C4H8N2/c1-19(2)36-17-24(20(3)35-36)27-15-21-14-22(25-12-9-13-26(33-25)29(38)34-30(4,5)18-31)16-32-28(21)37(27)41(39,40)23-10-7-6-8-11-23;1-14(2)31-12-18(15(3)30-31)21-10-16-9-17(11-26-22(16)28-21)19-7-6-8-20(27-19)23(32)29-24(4,5)13-25;1-17(2,9-19)23-16(24)13-5-3-4-12(21-13)11-6-10-7-14(18)22-15(10)20-8-11;14-11-5-7-4-8(6-15-12(7)17-11)9-2-1-3-10(16-9)13(18)19;1-4(2,6)3-5/h6-17,19H,1-5H3,(H,34,38);6-12,14H,1-5H3,(H,26,28)(H,29,32);3-8H,1-2H3,(H,20,22)(H,23,24);1-6H,(H,15,17)(H,18,19);6H2,1-2H3
• InChIKey: FSSDDTIDSKLDRW-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 470.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.68
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?

The IUPAC name of 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid (CID 158130467) is 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid.

What is the SMILES notation for 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?

The canonical SMILES for 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid is CC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(I)cc3c2)n1.CC(C)(N)C#N.Cc1nn(C(C)C)cc1-c1cc2cc(-c3cccc(C(=O)NC(C)(C)C#N)n3)cnc2[nH]1.Cc1nn(C(C)C)cc1-c1cc2cc(-c3cccc(C(=O)NC(C)(C)C#N)n3)cnc2n1S(=O)(=O)c1ccccc1.O=C(O)c1cccc(-c2cnc3[nH]c(I)cc3c2)n1.

What is the InChIKey of 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?

The InChIKey is FSSDDTIDSKLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O3S.C24H25N7O.C17H14IN5O.C13H8IN3O2.C4H8N2/c1-19(2)36-17-24(20(3)35-36)27-15-21-14-22(25-12-9-13-26(33-25)29(38)34-30(4,5)18-31)16-32-28(21)37(27)41(39,40)23-10-7-6-8-11-23;1-14(2)31-12-18(15(3)30-31)21-10-16-9-17(11-26-22(16)28-21)19-7-6-8-20(27-19)23(32)29-24(4,5)13-25;1-17(2,9-19)23-16(24)13-5-3-4-12(21-13)11-6-10-7-14(18)22-15(10)20-8-11;14-11-5-7-4-8(6-15-12(7)17-11)9-2-1-3-10(16-9)13(18)19;1-4(2,6)3-5/h6-17,19H,1-5H3,(H,34,38);6-12,14H,1-5H3,(H,26,28)(H,29,32);3-8H,1-2H3,(H,20,22)(H,23,24);1-6H,(H,15,17)(H,18,19);6H2,1-2H3.

What are the key properties of 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid?

2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid has a molecular weight of 1875.68 g/mol, XLogP of 15.97, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methylpropanenitrile;6-[1-(benzenesulfonyl)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide;N-(2-cyanopropan-2-yl)-6-[2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 158130467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158130467 — identifiers, structure, computed properties (public domain)

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