5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine

C25H20N6O — CID 137112068

About 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine

5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 137112068) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 137112068
• Molecular Formula: C25H20N6O
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.17
• IUPAC Name: 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
• SMILES: CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C25H20N6O/c1-31(2)18-9-17(12-26-13-18)15-3-4-22-21(10-15)24(30-29-22)23-11-20-19(16-6-8-32-14-16)5-7-27-25(20)28-23/h3-14H,1-2H3,(H,27,28)(H,29,30)
• InChIKey: ZCWYYKUIPJPRPJ-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 86.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine (CID 137112068) is 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine.

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

The canonical SMILES for 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1.

What is the InChIKey of 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine?

The InChIKey is ZCWYYKUIPJPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-31(2)18-9-17(12-26-13-18)15-3-4-22-21(10-15)24(30-29-22)23-11-20-19(16-6-8-32-14-16)5-7-27-25(20)28-23/h3-14H,1-2H3,(H,27,28)(H,29,30).

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

5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 420.48 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 137112068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).