(4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

C22H20N4OS — CID 92702191

IUPAC(4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc([C@H]2CC(=O)N(C)c3c2c(C)nn3-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H20N4OS/c1-13-8-10-15(11-9-13)16-12-19(27)25(3)21-20(16)14(2)24-26(21)22-23-17-6-4-5-7-18(17)28-22/h4-11,16H,12H2,1-3H3/t16-/m1/s1
InChIKeyQJEBMXDLRPUZNG-MRXNPFEDSA-N
MW388.50 g/mol
LogP4.60
Rot. Bonds2

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

(4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 92702191) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
PubChem CID92702191
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name(4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc([C@H]2CC(=O)N(C)c3c2c(C)nn3-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H20N4OS/c1-13-8-10-15(11-9-13)16-12-19(27)25(3)21-20(16)14(2)24-26(21)22-23-17-6-4-5-7-18(17)28-22/h4-11,16H,12H2,1-3H3/t16-/m1/s1
InChIKeyQJEBMXDLRPUZNG-MRXNPFEDSA-N
XLogP4.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[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)-1-(4,6-dimethylpyrimidin-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92720883
(4S)-1-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871240
(4R)-1-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871237
1-(1,3-benzothiazol-2-yl)-3-methyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135893134
1-(1,3-benzothiazol-2-yl)-3-methyl-4-(4-methylphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135823406
1-(1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964933
1-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889031
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3,7-dimethyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 50745079
(4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(4-prop-2-enoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871271
(4R)-1-(1,3-benzothiazol-2-yl)-4-[4-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871277
(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136828561
(4S)-3-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136758548

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (CID 92702191) is (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is Cc1ccc([C@H]2CC(=O)N(C)c3c2c(C)nn3-c2nc3ccccc3s2)cc1.
What is the InChIKey of (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is QJEBMXDLRPUZNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-13-8-10-15(11-9-13)16-12-19(27)25(3)21-20(16)14(2)24-26(21)22-23-17-6-4-5-7-18(17)28-22/h4-11,16H,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 388.50 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(1,3-benzothiazol-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 92702191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).