(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H16ClN3OS — CID 135880690

IUPAC(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1ccsc1)CC(=O)N2
InChIInChI=1S/C18H16ClN3OS/c1-10-14(19)4-3-5-15(10)22-18-17(11(2)21-22)13(8-16(23)20-18)12-6-7-24-9-12/h3-7,9,13H,8H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyOMGOAGWRKRBRDZ-ZDUSSCGKSA-N
MW357.87 g/mol
LogP4.68
Rot. Bonds2

About (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135880690) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135880690
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1ccsc1)CC(=O)N2
InChIInChI=1S/C18H16ClN3OS/c1-10-14(19)4-3-5-15(10)22-18-17(11(2)21-22)13(8-16(23)20-18)12-6-7-24-9-12/h3-7,9,13H,8H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyOMGOAGWRKRBRDZ-ZDUSSCGKSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-chloro-2-methylphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135654186
3-methyl-1-pyrimidin-2-yl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654302
1-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135529902
1-(1H-benzimidazol-2-yl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135964950
1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135756434
3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621033
(4S)-4-(2,3-dichlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878799
1-(1,1-dioxothiolan-3-yl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632756
3-methyl-1-phenyl-4-thiophen-3-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135889033
(4R)-1-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759700
(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759749
(4R)-1-(2-chlorophenyl)-4-(3-hydroxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136807467

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135880690) is (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1ccsc1)CC(=O)N2.
What is the InChIKey of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OMGOAGWRKRBRDZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-10-14(19)4-3-5-15(10)22-18-17(11(2)21-22)13(8-16(23)20-18)12-6-7-24-9-12/h3-7,9,13H,8H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 357.87 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135880690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).