[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

C14H19N3O — CID 66416265

IUPAC[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(CCN2CCCC2)c2ncccc12
InChIInChI=1S/C14H19N3O/c18-11-12-10-17(9-8-16-6-1-2-7-16)14-13(12)4-3-5-15-14/h3-5,10,18H,1-2,6-9,11H2
InChIKeySVBHLBKZXGWCMJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.62
Rot. Bonds4

About [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66416265) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66416265
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(CCN2CCCC2)c2ncccc12
InChIInChI=1S/C14H19N3O/c18-11-12-10-17(9-8-16-6-1-2-7-16)14-13(12)4-3-5-15-14/h3-5,10,18H,1-2,6-9,11H2
InChIKeySVBHLBKZXGWCMJ-UHFFFAOYSA-N
XLogP1.62
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66416265) is [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1cn(CCN2CCCC2)c2ncccc12.
What is the InChIKey of [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is SVBHLBKZXGWCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-11-12-10-17(9-8-16-6-1-2-7-16)14-13(12)4-3-5-15-14/h3-5,10,18H,1-2,6-9,11H2.
What are the key properties of [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66416265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).