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

C18H17N5OS — CID 127043439

IUPAC3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C)nc4)s3)[nH]nc21
InChIInChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22)
InChIKeyWJUZSDOIDKANHJ-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.63
Rot. Bonds4

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

3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 127043439) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID127043439
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C)nc4)s3)[nH]nc21
InChIInChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22)
InChIKeyWJUZSDOIDKANHJ-UHFFFAOYSA-N
XLogP3.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
methyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 10157715
N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 10271259
(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73346302
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-(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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one (CID 127043439) is 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C)nc4)s3)[nH]nc21.
What is the InChIKey of 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is WJUZSDOIDKANHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22).
What are the key properties of 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 351.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 127043439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).