1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one

C19H18N6O2S — CID 140960383

IUPAC1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3nc(-c4ccc(N5CCCCC5)nc4)ccc32)S(=O)N1
InChIInChI=1S/C19H18N6O2S/c26-18-10-19(28(27)23-18)25-16-6-5-14(22-15(16)12-21-25)13-4-7-17(20-11-13)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H,23,26)
InChIKeyNBEWWJHURJBTFI-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.08
Rot. Bonds3

About 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one

1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one (PubChem CID 140960383) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one
PubChem CID140960383
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3nc(-c4ccc(N5CCCCC5)nc4)ccc32)S(=O)N1
InChIInChI=1S/C19H18N6O2S/c26-18-10-19(28(27)23-18)25-16-6-5-14(22-15(16)12-21-25)13-4-7-17(20-11-13)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H,23,26)
InChIKeyNBEWWJHURJBTFI-UHFFFAOYSA-N
XLogP2.08
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one (CID 140960383) is 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one is O=C1C=C(n2ncc3nc(-c4ccc(N5CCCCC5)nc4)ccc32)S(=O)N1.
What is the InChIKey of 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one?
The InChIKey is NBEWWJHURJBTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c26-18-10-19(28(27)23-18)25-16-6-5-14(22-15(16)12-21-25)13-4-7-17(20-11-13)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2,(H,23,26).
What are the key properties of 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one?
1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one has a molecular weight of 394.46 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-[5-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[4,5-b]pyridin-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 140960383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).