1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H17N3OS — CID 135620902

IUPAC1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccsc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1
InChIInChI=1S/C22H17N3OS/c26-19-13-18(16-11-12-27-14-16)20-21(15-7-3-1-4-8-15)24-25(22(20)23-19)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H,23,26)
InChIKeyMFESSGKQIWLSKZ-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.07
Rot. Bonds3

About 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135620902) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135620902
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccsc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1
InChIInChI=1S/C22H17N3OS/c26-19-13-18(16-11-12-27-14-16)20-21(15-7-3-1-4-8-15)24-25(22(20)23-19)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H,23,26)
InChIKeyMFESSGKQIWLSKZ-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135620902) is 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2ccsc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1.
What is the InChIKey of 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MFESSGKQIWLSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-19-13-18(16-11-12-27-14-16)20-21(15-7-3-1-4-8-15)24-25(22(20)23-19)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H,23,26).
What are the key properties of 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 371.47 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135620902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).