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

C22H16N6O — CID 137283151

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 137283151) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
• PubChem CID: 137283151
• Molecular Formula: C22H16N6O
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.14
• IUPAC Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
• SMILES: Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)cn1
• InChI: InChI=1S/C22H16N6O/c1-28-11-15(10-24-28)13-2-3-19-18(8-13)21(27-26-19)20-9-17-16(14-5-7-29-12-14)4-6-23-22(17)25-20/h2-12H,1H3,(H,23,25)(H,26,27)
• InChIKey: BPOJLPQAFQPPQO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 88.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (CID 137283151) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.

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

The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)cn1.

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

The InChIKey is BPOJLPQAFQPPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-28-11-15(10-24-28)13-2-3-19-18(8-13)21(27-26-19)20-9-17-16(14-5-7-29-12-14)4-6-23-22(17)25-20/h2-12H,1H3,(H,23,25)(H,26,27).

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 380.41 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137283151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).