1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol

C25H26N4O2 — CID 140928556

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol (PubChem CID 140928556) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol
• PubChem CID: 140928556
• Molecular Formula: C25H26N4O2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.21
• IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol
• SMILES: Cn1ncc2ccc(-c3ccnc(OCC(O)CN4CCc5ccccc5C4)c3)cc21
• InChI: InChI=1S/C25H26N4O2/c1-28-24-12-19(6-7-21(24)14-27-28)20-8-10-26-25(13-20)31-17-23(30)16-29-11-9-18-4-2-3-5-22(18)15-29/h2-8,10,12-14,23,30H,9,11,15-17H2,1H3
• InChIKey: SJBXRAQLMIUXFB-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 63.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol?

The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol (CID 140928556) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol.

What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol?

The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol is Cn1ncc2ccc(-c3ccnc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.

What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol?

The InChIKey is SJBXRAQLMIUXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-28-24-12-19(6-7-21(24)14-27-28)20-8-10-26-25(13-20)31-17-23(30)16-29-11-9-18-4-2-3-5-22(18)15-29/h2-8,10,12-14,23,30H,9,11,15-17H2,1H3.

What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol?

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol has a molecular weight of 414.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol is sourced from PubChem (CID 140928556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).