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

C29H25N7 — CID 137114387

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

3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114387) has the molecular formula C29H25N7 and a molecular weight of 471.57 g/mol. Its IUPAC name is 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137114387
• Molecular Formula: C29H25N7
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.22
• IUPAC Name: 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)cc23)nc1
• InChI: InChI=1S/C29H25N7/c1-2-11-31-24(7-1)21-6-5-8-25-22(21)15-27(32-25)29-28-26(34-35-29)10-9-23(33-28)20-14-19(16-30-17-20)18-36-12-3-4-13-36/h1-2,5-11,14-17,32H,3-4,12-13,18H2,(H,34,35)
• InChIKey: PNTJDOJVUBSGQC-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137114387) is 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)cc23)nc1.

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

The InChIKey is PNTJDOJVUBSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7/c1-2-11-31-24(7-1)21-6-5-8-25-22(21)15-27(32-25)29-28-26(34-35-29)10-9-23(33-28)20-14-19(16-30-17-20)18-36-12-3-4-13-36/h1-2,5-11,14-17,32H,3-4,12-13,18H2,(H,34,35).

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

3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 471.57 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-pyridin-2-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).