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

C23H15N5O — CID 137114237

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

3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole (PubChem CID 137114237) has the molecular formula C23H15N5O and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
• PubChem CID: 137114237
• Molecular Formula: C23H15N5O
• Molecular Weight: 377.41 g/mol
• Exact Mass: 377.13
• IUPAC Name: 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
• SMILES: c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C23H15N5O/c1-2-15(12-24-7-1)14-3-4-20-17(10-14)23(28-27-20)21-11-18-19(26-21)5-8-25-22(18)16-6-9-29-13-16/h1-13,26H,(H,27,28)
• InChIKey: XKBWQDDNIBXSCU-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 83.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.41
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole (CID 137114237) is 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole.

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

The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole is c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is XKBWQDDNIBXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O/c1-2-15(12-24-7-1)14-3-4-20-17(10-14)23(28-27-20)21-11-18-19(26-21)5-8-25-22(18)16-6-9-29-13-16/h1-13,26H,(H,27,28).

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

3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole has a molecular weight of 377.41 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole is sourced from PubChem (CID 137114237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).