[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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Related Compounds

[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 169074480
(1H-Pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 43156197
2-{1H-pyrrolo[2,3-b]pyridin-3-yl}ethan-1-ol
CID 13285355
Imidazo[1,2-a]pyridin-6-ylmethanol
CID 7060530
(4-Imidazo[1,2-a]pyrazin-5-ylphenyl)methanol
CID 49792357
(2-Imidazo[1,2-a]pyridin-5-ylphenyl)methanol
CID 49795840
2-(Imidazo[1,2-a]pyridin-7-yl)propan-2-ol
CID 44408927
1H-Pyrrolo(2,3-b)pyridine-3-methanol, 4-methyl-1-phenyl-
CID 3039599
Imidazo[1,2-a]pyridine-7-methanol
CID 11051824
{Imidazo[1,2-a]pyridin-7-yl}methanol hydrochloride
CID 19883500
(1H-Pyrrolo[2,3-b]pyridin-5-yl)methanol
CID 22832050
tert-Butyl 3-(hydroxymethyl)-1H-pyrrolo(2,3-b)pyridine-1-carboxylate
CID 49758903

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).