3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole

C29H26N6O2 — CID 154514473

About 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole (PubChem CID 154514473) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
• PubChem CID: 154514473
• Molecular Formula: C29H26N6O2
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.21
• IUPAC Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)co1
• InChI: InChI=1S/C29H26N6O2/c1-2-7-35(6-1)8-10-37-22-11-21(14-30-15-22)19-3-4-26-24(12-19)29(34-33-26)27-13-23-25(20-5-9-36-18-20)16-31-17-28(23)32-27/h3-5,9,11-18,32H,1-2,6-8,10H2,(H,33,34)
• InChIKey: FCEJLJZUDDWYQC-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 95.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?

The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole (CID 154514473) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole.

What is the SMILES notation for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?

The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)co1.

What is the InChIKey of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?

The InChIKey is FCEJLJZUDDWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-2-7-35(6-1)8-10-37-22-11-21(14-30-15-22)19-3-4-26-24(12-19)29(34-33-26)27-13-23-25(20-5-9-36-18-20)16-31-17-28(23)32-27/h3-5,9,11-18,32H,1-2,6-8,10H2,(H,33,34).

What are the key properties of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole has a molecular weight of 490.57 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 154514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).