1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol

C27H23N5O2 — CID 137308957

About 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol

1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol (PubChem CID 137308957) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol
• PubChem CID: 137308957
• Molecular Formula: C27H23N5O2
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.19
• IUPAC Name: 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol
• SMILES: CCC(O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H23N5O2/c1-2-26(33)29-19-10-18(13-28-14-19)16-6-7-24-22(11-16)27(32-31-24)25-12-21-20(17-8-9-34-15-17)4-3-5-23(21)30-25/h3-15,26,29-30,33H,2H2,1H3,(H,31,32)
• InChIKey: MHPCCQVSONHANE-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 102.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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]amino]propan-1-ol?

The IUPAC name of 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol (CID 137308957) is 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol.

What is the SMILES notation for 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol?

The canonical SMILES for 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol is CCC(O)Nc1cncc(-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]amino]propan-1-ol?

The InChIKey is MHPCCQVSONHANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-2-26(33)29-19-10-18(13-28-14-19)16-6-7-24-22(11-16)27(32-31-24)25-12-21-20(17-8-9-34-15-17)4-3-5-23(21)30-25/h3-15,26,29-30,33H,2H2,1H3,(H,31,32).

What are the key properties of 1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol?

1-[[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol has a molecular weight of 449.51 g/mol, XLogP of 6.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 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]amino]propan-1-ol is sourced from PubChem (CID 137308957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).