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

C17H15N5OS — CID 71721528

IUPAC7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21
InChIInChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
InChIKeyVOOCDNWLHBWIJZ-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.32
Rot. Bonds4

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

7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 71721528) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID71721528
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21
InChIInChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
InChIKeyVOOCDNWLHBWIJZ-UHFFFAOYSA-N
XLogP3.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (CID 71721528) is 7-propyl-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-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is CCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21.
What is the InChIKey of 7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is VOOCDNWLHBWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21).
What are the key properties of 7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 337.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 71721528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).