6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol

C17H14N4OS — CID 137256857

IUPAC6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2cccnc2cn1CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C17H14N4OS/c22-17-14-4-2-7-19-15(14)10-21(17)8-5-13-11-23-16(20-13)12-3-1-6-18-9-12/h1-4,6-7,9-11,22H,5,8H2
InChIKeyHAZAJKOINKJDHE-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.50
Rot. Bonds4

About 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol

6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137256857) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137256857
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1c2cccnc2cn1CCc1csc(-c2cccnc2)n1
InChIInChI=1S/C17H14N4OS/c22-17-14-4-2-7-19-15(14)10-21(17)8-5-13-11-23-16(20-13)12-3-1-6-18-9-12/h1-4,6-7,9-11,22H,5,8H2
InChIKeyHAZAJKOINKJDHE-UHFFFAOYSA-N
XLogP3.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
(3S)-5-oxo-1-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 95128901
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70720614
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118779413
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39080939
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
CID 91901612
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 91765071

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137256857) is 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol is Oc1c2cccnc2cn1CCc1csc(-c2cccnc2)n1.
What is the InChIKey of 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is HAZAJKOINKJDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-17-14-4-2-7-19-15(14)10-21(17)8-5-13-11-23-16(20-13)12-3-1-6-18-9-12/h1-4,6-7,9-11,22H,5,8H2.
What are the key properties of 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 322.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137256857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).