7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one

C16H13N5O2S — CID 127044534

IUPAC7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=c1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2n1CCO
InChIInChI=1S/C16H13N5O2S/c22-7-6-21-13(23)4-3-11-14(19-20-15(11)21)12-9-18-16(24-12)10-2-1-5-17-8-10/h1-5,8-9,22H,6-7H2,(H,19,20)
InChIKeyGGCZGENFPFRBSK-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.90
Rot. Bonds4

About 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one

7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 127044534) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID127044534
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=c1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2n1CCO
InChIInChI=1S/C16H13N5O2S/c22-7-6-21-13(23)4-3-11-14(19-20-15(11)21)12-9-18-16(24-12)10-2-1-5-17-8-10/h1-5,8-9,22H,6-7H2,(H,19,20)
InChIKeyGGCZGENFPFRBSK-UHFFFAOYSA-N
XLogP1.90
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

7-Propyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-1,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 71721528
3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567071
4-Phenyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567070
5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127041403
3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043437
3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043438
3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043439
3-[2-[6-(hydroxymethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043447
3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043448
3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043626
7-methyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127044865
7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127044873

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (CID 127044534) is 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is O=c1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2n1CCO.
What is the InChIKey of 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is GGCZGENFPFRBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c22-7-6-21-13(23)4-3-11-14(19-20-15(11)21)12-9-18-16(24-12)10-2-1-5-17-8-10/h1-5,8-9,22H,6-7H2,(H,19,20).
What are the key properties of 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 339.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 127044534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).