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

C30H27N9O — CID 137038550

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

2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137038550) has the molecular formula C30H27N9O and a molecular weight of 529.61 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137038550
• Molecular Formula: C30H27N9O
• Molecular Weight: 529.61 g/mol
• Exact Mass: 529.23
• IUPAC Name: 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: O=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H27N9O/c40-27(11-18-1-6-31-7-2-18)36-22-12-20(15-33-17-22)21-13-25-28(38-39-30(25)35-16-21)26-14-24-23(5-10-34-29(24)37-26)19-3-8-32-9-4-19/h3-5,8-10,12-18,31H,1-2,6-7,11H2,(H,34,37)(H,36,40)(H,35,38,39)
• InChIKey: WHLAZKIHWROTRW-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 137.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.61
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137038550) is 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.

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

The canonical SMILES for 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1.

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

The InChIKey is WHLAZKIHWROTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O/c40-27(11-18-1-6-31-7-2-18)36-22-12-20(15-33-17-22)21-13-25-28(38-39-30(25)35-16-21)26-14-24-23(5-10-34-29(24)37-26)19-3-8-32-9-4-19/h3-5,8-10,12-18,31H,1-2,6-7,11H2,(H,34,37)(H,36,40)(H,35,38,39).

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

2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 529.61 g/mol, XLogP of 4.95, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137038550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).