[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C21H25N3O — CID 58087761

IUPAC[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccc(CCC2CCCCC2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H25N3O/c25-20(19-14-24-21-18(19)7-4-12-22-21)16-9-11-17(23-13-16)10-8-15-5-2-1-3-6-15/h4,7,9,11-15,20,25H,1-3,5-6,8,10H2,(H,22,24)
InChIKeySSPHHXAEPCDVTJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.55
Rot. Bonds5

About [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 58087761) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID58087761
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOC(c1ccc(CCC2CCCCC2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H25N3O/c25-20(19-14-24-21-18(19)7-4-12-22-21)16-9-11-17(23-13-16)10-8-15-5-2-1-3-6-15/h4,7,9,11-15,20,25H,1-3,5-6,8,10H2,(H,22,24)
InChIKeySSPHHXAEPCDVTJ-UHFFFAOYSA-N
XLogP4.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 58087761) is [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is OC(c1ccc(CCC2CCCCC2)nc1)c1c[nH]c2ncccc12.
What is the InChIKey of [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is SSPHHXAEPCDVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20(19-14-24-21-18(19)7-4-12-22-21)16-9-11-17(23-13-16)10-8-15-5-2-1-3-6-15/h4,7,9,11-15,20,25H,1-3,5-6,8,10H2,(H,22,24).
What are the key properties of [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
[6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 335.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-cyclohexylethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 58087761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).