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

C12H12N4OS — CID 127044873

IUPAC7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cncs3)[nH]nc21
InChIInChI=1S/C12H12N4OS/c1-2-5-16-10(17)4-3-8-11(14-15-12(8)16)9-6-13-7-18-9/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyGDNLQTBJNOTQCG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.26
Rot. Bonds3

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

7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 127044873) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID127044873
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cncs3)[nH]nc21
InChIInChI=1S/C12H12N4OS/c1-2-5-16-10(17)4-3-8-11(14-15-12(8)16)9-6-13-7-18-9/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyGDNLQTBJNOTQCG-UHFFFAOYSA-N
XLogP2.26
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
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-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043448
7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127044534
7-methyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127044865
3-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127045226
3-[2-[6-(diethylaminomethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127045233
7-propyl-3-(5-pyridin-3-yl-1,3-thiazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127045388
7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127045548

Frequently Asked Questions

What is the IUPAC name of 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (CID 127044873) is 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is CCCn1c(=O)ccc2c(-c3cncs3)[nH]nc21.
What is the InChIKey of 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is GDNLQTBJNOTQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-5-16-10(17)4-3-8-11(14-15-12(8)16)9-6-13-7-18-9/h3-4,6-7H,2,5H2,1H3,(H,14,15).
What are the key properties of 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 260.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-3-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 127044873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).