4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

C20H13N5OS — CID 135567070

IUPAC4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESO=c1cc(-c2ccccc2)c2c(-c3cnc(-c4cccnc4)s3)[nH]nc2[nH]1
InChIInChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)
InChIKeyGPTXKTBHBIQZEL-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.10
Rot. Bonds3

About 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135567070) has the molecular formula C20H13N5OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135567070
Molecular FormulaC20H13N5OS
Molecular Weight371.43 g/mol
Exact Mass371.08
IUPAC Name4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESO=c1cc(-c2ccccc2)c2c(-c3cnc(-c4cccnc4)s3)[nH]nc2[nH]1
InChIInChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)
InChIKeyGPTXKTBHBIQZEL-UHFFFAOYSA-N
XLogP4.10
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (CID 135567070) is 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is O=c1cc(-c2ccccc2)c2c(-c3cnc(-c4cccnc4)s3)[nH]nc2[nH]1.
What is the InChIKey of 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is GPTXKTBHBIQZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26).
What are the key properties of 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 371.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135567070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).