(4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C16H14N4OS — CID 136693377

IUPAC(4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccccc1-c1ncc([C@@H]2CC(=O)Nc3[nH]ncc32)s1
InChIInChI=1S/C16H14N4OS/c1-9-4-2-3-5-10(9)16-17-8-13(22-16)11-6-14(21)19-15-12(11)7-18-20-15/h2-5,7-8,11H,6H2,1H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeySBFMEVSBOJHGSN-LLVKDONJSA-N
MW310.38 g/mol
LogP3.32
Rot. Bonds2

About (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

(4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 136693377) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID136693377
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name(4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccccc1-c1ncc([C@@H]2CC(=O)Nc3[nH]ncc32)s1
InChIInChI=1S/C16H14N4OS/c1-9-4-2-3-5-10(9)16-17-8-13(22-16)11-6-14(21)19-15-12(11)7-18-20-15/h2-5,7-8,11H,6H2,1H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeySBFMEVSBOJHGSN-LLVKDONJSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-4-(2-chlorophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902621
4-(2-bromophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637582
(4S)-4-(2-bromophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135901925
4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637572
(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902518
1-methyl-4-(2-phenyl-1,3-thiazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412587
4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637481
(4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135930793
4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135636067
(4S)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136821248
(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902813
(4R)-4-[3-(2-methylpropoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902215

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 136693377) is (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is Cc1ccccc1-c1ncc([C@@H]2CC(=O)Nc3[nH]ncc32)s1.
What is the InChIKey of (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SBFMEVSBOJHGSN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-9-4-2-3-5-10(9)16-17-8-13(22-16)11-6-14(21)19-15-12(11)7-18-20-15/h2-5,7-8,11H,6H2,1H3,(H2,18,19,20,21)/t11-/m1/s1.
What are the key properties of (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
(4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 310.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136693377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).