1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol

C17H19N3O2 — CID 92571672

IUPAC1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1
InChIInChI=1S/C17H19N3O2/c21-12-5-8-20(9-6-12)11-14-13-3-1-7-18-17(13)19-16(14)15-4-2-10-22-15/h1-4,7,10,12,21H,5-6,8-9,11H2,(H,18,19)
InChIKeyODSGUWORUCWINP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.78
Rot. Bonds3

About 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol

1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol (PubChem CID 92571672) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol
PubChem CID92571672
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1
InChIInChI=1S/C17H19N3O2/c21-12-5-8-20(9-6-12)11-14-13-3-1-7-18-17(13)19-16(14)15-4-2-10-22-15/h1-4,7,10,12,21H,5-6,8-9,11H2,(H,18,19)
InChIKeyODSGUWORUCWINP-UHFFFAOYSA-N
XLogP2.78
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol (CID 92571672) is 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol is OC1CCN(Cc2c(-c3ccco3)[nH]c3ncccc23)CC1.
What is the InChIKey of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
The InChIKey is ODSGUWORUCWINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-12-5-8-20(9-6-12)11-14-13-3-1-7-18-17(13)19-16(14)15-4-2-10-22-15/h1-4,7,10,12,21H,5-6,8-9,11H2,(H,18,19).
What are the key properties of 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol?
1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol has a molecular weight of 297.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 92571672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).