2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

C28H30N8O — CID 137057398

About 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137057398) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137057398
• Molecular Formula: C28H30N8O
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.25
• IUPAC Name: 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CC(C)(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(N6CCCCC6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C28H30N8O/c1-28(2,3)27(37)31-18-12-17(14-29-15-18)21-13-19-22(16-30-21)34-35-24(19)26-32-20-8-7-9-23(25(20)33-26)36-10-5-4-6-11-36/h7-9,12-16H,4-6,10-11H2,1-3H3,(H,31,37)(H,32,33)(H,34,35)
• InChIKey: YOOOEDAIQIRGEO-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 115.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137057398) is 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(N6CCCCC6)cccc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is YOOOEDAIQIRGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-28(2,3)27(37)31-18-12-17(14-29-15-18)21-13-19-22(16-30-21)34-35-24(19)26-32-20-8-7-9-23(25(20)33-26)36-10-5-4-6-11-36/h7-9,12-16H,4-6,10-11H2,1-3H3,(H,31,37)(H,32,33)(H,34,35).

What are the key properties of 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide?

2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 494.60 g/mol, XLogP of 5.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137057398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).