1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C27H23N5O — CID 137088514

About 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 137088514) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 137088514
• Molecular Formula: C27H23N5O
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.19
• IUPAC Name: 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• SMILES: CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H23N5O/c1-32(2)15-17-10-20(14-28-13-17)18-6-7-25-23(11-18)27(31-30-25)26-12-22-21(19-8-9-33-16-19)4-3-5-24(22)29-26/h3-14,16,29H,15H2,1-2H3,(H,30,31)
• InChIKey: VMSHXERLMHEMMZ-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 73.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 137088514) is 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1.

What is the InChIKey of 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

The InChIKey is VMSHXERLMHEMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-32(2)15-17-10-20(14-28-13-17)18-6-7-25-23(11-18)27(31-30-25)26-12-22-21(19-8-9-33-16-19)4-3-5-24(22)29-26/h3-14,16,29H,15H2,1-2H3,(H,30,31).

What are the key properties of 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 433.52 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 137088514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).