3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide

C29H27N7O — CID 137257269

About 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide

3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137257269) has the molecular formula C29H27N7O and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137257269
• Molecular Formula: C29H27N7O
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.23
• IUPAC Name: 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c([nH]4)CCC=C5c4cccnc4)c3c2)c1
• InChI: InChI=1S/C29H27N7O/c1-17(2)9-27(37)33-21-10-19(14-31-16-21)20-11-24-28(35-36-29(24)32-15-20)26-12-23-22(6-3-7-25(23)34-26)18-5-4-8-30-13-18/h4-6,8,10-17,34H,3,7,9H2,1-2H3,(H,33,37)(H,32,35,36)
• InChIKey: CWDQLEPJUIHHRX-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The IUPAC name of 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137257269) is 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide.

What is the SMILES notation for 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The canonical SMILES for 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c([nH]4)CCC=C5c4cccnc4)c3c2)c1.

What is the InChIKey of 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The InChIKey is CWDQLEPJUIHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O/c1-17(2)9-27(37)33-21-10-19(14-31-16-21)20-11-24-28(35-36-29(24)32-15-20)26-12-23-22(6-3-7-25(23)34-26)18-5-4-8-30-13-18/h4-6,8,10-17,34H,3,7,9H2,1-2H3,(H,33,37)(H,32,35,36).

What are the key properties of 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide?

3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 489.58 g/mol, XLogP of 5.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[3-(4-pyridin-3-yl-6,7-dihydro-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137257269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).