5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine

C30H27N7 — CID 137088603

About 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137088603) has the molecular formula C30H27N7 and a molecular weight of 485.60 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137088603
• Molecular Formula: C30H27N7
• Molecular Weight: 485.60 g/mol
• Exact Mass: 485.23
• IUPAC Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)nc1
• InChI: InChI=1S/C30H27N7/c1-4-13-37(14-5-1)19-20-15-21(18-31-17-20)24-10-11-27-29(34-24)30(36-35-27)28-16-23-22(7-6-9-26(23)33-28)25-8-2-3-12-32-25/h2-3,6-12,15-18,33H,1,4-5,13-14,19H2,(H,35,36)
• InChIKey: WLUMDXSWAOONRG-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.60
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137088603) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)nc1.

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

The InChIKey is WLUMDXSWAOONRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-4-13-37(14-5-1)19-20-15-21(18-31-17-20)24-10-11-27-29(34-24)30(36-35-27)28-16-23-22(7-6-9-26(23)33-28)25-8-2-3-12-32-25/h2-3,6-12,15-18,33H,1,4-5,13-14,19H2,(H,35,36).

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

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 485.60 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137088603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).