2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate

C22H23N3O3 — CID 15945734

IUPAC2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate
SMILESCOc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1.O
InChIInChI=1S/C22H21N3O2.H2O/c1-27-19-6-7-20-18(10-19)11-21(25-20)22(26,12-16-4-2-8-23-14-16)13-17-5-3-9-24-15-17;/h2-11,14-15,25-26H,12-13H2,1H3;1H2
InChIKeyQXFAQKUZDZRQHO-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.81
Rot. Bonds6

About 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate

2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate (PubChem CID 15945734) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate
PubChem CID15945734
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate
SMILESCOc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1.O
InChIInChI=1S/C22H21N3O2.H2O/c1-27-19-6-7-20-18(10-19)11-21(25-20)22(26,12-16-4-2-8-23-14-16)13-17-5-3-9-24-15-17;/h2-11,14-15,25-26H,12-13H2,1H3;1H2
InChIKeyQXFAQKUZDZRQHO-UHFFFAOYSA-N
XLogP2.81
TPSA102.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate?
The IUPAC name of 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate (CID 15945734) is 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate.
What is the SMILES notation for 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate?
The canonical SMILES for 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate is COc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1.O.
What is the InChIKey of 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate?
The InChIKey is QXFAQKUZDZRQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.H2O/c1-27-19-6-7-20-18(10-19)11-21(25-20)22(26,12-16-4-2-8-23-14-16)13-17-5-3-9-24-15-17;/h2-11,14-15,25-26H,12-13H2,1H3;1H2.
What are the key properties of 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate?
2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate has a molecular weight of 377.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-2-yl)-1,3-dipyridin-3-ylpropan-2-ol;hydrate is sourced from PubChem (CID 15945734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).