2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol

C21H19N3O — CID 852445

IUPAC2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)(Cc1cccnc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H19N3O/c25-21(12-16-5-3-9-22-14-16,13-17-6-4-10-23-15-17)20-11-18-7-1-2-8-19(18)24-20/h1-11,14-15,24-25H,12-13H2
InChIKeyXILHZVRSYDIUMJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.63
Rot. Bonds5

About 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol

2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol (PubChem CID 852445) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol
PubChem CID852445
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)(Cc1cccnc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H19N3O/c25-21(12-16-5-3-9-22-14-16,13-17-6-4-10-23-15-17)20-11-18-7-1-2-8-19(18)24-20/h1-11,14-15,24-25H,12-13H2
InChIKeyXILHZVRSYDIUMJ-UHFFFAOYSA-N
XLogP3.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol?
The IUPAC name of 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol (CID 852445) is 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol.
What is the SMILES notation for 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol?
The canonical SMILES for 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol is OC(Cc1cccnc1)(Cc1cccnc1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol?
The InChIKey is XILHZVRSYDIUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(12-16-5-3-9-22-14-16,13-17-6-4-10-23-15-17)20-11-18-7-1-2-8-19(18)24-20/h1-11,14-15,24-25H,12-13H2.
What are the key properties of 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol?
2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol has a molecular weight of 329.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol is sourced from PubChem (CID 852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).