(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C13H13N3OS — CID 135902518

IUPAC(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCSc1ccc([C@H]2CC(=O)Nc3[nH]ncc32)cc1
InChIInChI=1S/C13H13N3OS/c1-18-9-4-2-8(3-5-9)10-6-12(17)15-13-11(10)7-14-16-13/h2-5,7,10H,6H2,1H3,(H2,14,15,16,17)/t10-/m1/s1
InChIKeyPWKGTAUEIIIXAZ-SNVBAGLBSA-N
MW259.33 g/mol
LogP2.61
Rot. Bonds2

About (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 135902518) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID135902518
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCSc1ccc([C@H]2CC(=O)Nc3[nH]ncc32)cc1
InChIInChI=1S/C13H13N3OS/c1-18-9-4-2-8(3-5-9)10-6-12(17)15-13-11(10)7-14-16-13/h2-5,7,10H,6H2,1H3,(H2,14,15,16,17)/t10-/m1/s1
InChIKeyPWKGTAUEIIIXAZ-SNVBAGLBSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637572
4-(3-chloro-4-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 170503365
(4S)-4-(1-methylbenzotriazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136737688
4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 169415091
4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135636067
(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-(3-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135633978
1-tert-butyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632415
(4R)-4-[3-(2-methylpropoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902215
(4R)-4-(3-prop-2-ynoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135950651

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 135902518) is (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is CSc1ccc([C@H]2CC(=O)Nc3[nH]ncc32)cc1.
What is the InChIKey of (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PWKGTAUEIIIXAZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-18-9-4-2-8(3-5-9)10-6-12(17)15-13-11(10)7-14-16-13/h2-5,7,10H,6H2,1H3,(H2,14,15,16,17)/t10-/m1/s1.
What are the key properties of (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 259.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135902518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).