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

C16H13N5OS — CID 127045548

IUPAC7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21
InChIInChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20)
InChIKeyBGLANQCMTSXFSJ-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.93
Rot. Bonds3

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

7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 127045548) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID127045548
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21
InChIInChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20)
InChIKeyBGLANQCMTSXFSJ-UHFFFAOYSA-N
XLogP2.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.93
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-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one (CID 127045548) is 7-ethyl-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-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is CCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21.
What is the InChIKey of 7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is BGLANQCMTSXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of 7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one?
7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 323.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 127045548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).