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

C15H15N3O — CID 66414895

IUPAC[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(CCc2ccccn2)c2ncccc12
InChIInChI=1S/C15H15N3O/c19-11-12-10-18(15-14(12)5-3-8-17-15)9-6-13-4-1-2-7-16-13/h1-5,7-8,10,19H,6,9,11H2
InChIKeyISRPILLPKKMRAV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.17
Rot. Bonds4

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

[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66414895) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66414895
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(CCc2ccccn2)c2ncccc12
InChIInChI=1S/C15H15N3O/c19-11-12-10-18(15-14(12)5-3-8-17-15)9-6-13-4-1-2-7-16-13/h1-5,7-8,10,19H,6,9,11H2
InChIKeyISRPILLPKKMRAV-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66415084
[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415275
[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416265
methyl 4-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate
CID 66416051
[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414894
[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66413921
[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416049
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
CID 66414687
[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414288
[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 116790128
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66414895) is [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1cn(CCc2ccccn2)c2ncccc12.
What is the InChIKey of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is ISRPILLPKKMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-11-12-10-18(15-14(12)5-3-8-17-15)9-6-13-4-1-2-7-16-13/h1-5,7-8,10,19H,6,9,11H2.
What are the key properties of [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66414895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).