2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C25H24N8O — CID 137114728

About 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137114728) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137114728
• Molecular Formula: C25H24N8O
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.21
• IUPAC Name: 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C25H24N8O/c34-23(10-15-5-8-26-9-6-15)29-17-11-16(13-27-14-17)18-3-4-20-24(31-18)25(33-32-20)22-12-21-19(30-22)2-1-7-28-21/h1-4,7,11-15,26,30H,5-6,8-10H2,(H,29,34)(H,32,33)
• InChIKey: OHTZAGWDXZJYDX-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 124.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137114728) is 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5ncccc5[nH]4)c3n2)c1.

What is the InChIKey of 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The InChIKey is OHTZAGWDXZJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c34-23(10-15-5-8-26-9-6-15)29-17-11-16(13-27-14-17)18-3-4-20-24(31-18)25(33-32-20)22-12-21-19(30-22)2-1-7-28-21/h1-4,7,11-15,26,30H,5-6,8-10H2,(H,29,34)(H,32,33).

What are the key properties of 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137114728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).