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

C24H24ClN3O3 — CID 136759749

IUPAC(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1
InChIInChI=1S/C24H24ClN3O3/c1-4-12-31-17-10-8-16(9-11-17)23(30)18-13-21(29)26-24-22(18)15(3)27-28(24)20-7-5-6-19(25)14(20)2/h5-11,18H,4,12-13H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyLGTPTRSVCVMZDG-GOSISDBHSA-N
MW437.93 g/mol
LogP5.24
Rot. Bonds6

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

(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136759749) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136759749
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1
InChIInChI=1S/C24H24ClN3O3/c1-4-12-31-17-10-8-16(9-11-17)23(30)18-13-21(29)26-24-22(18)15(3)27-28(24)20-7-5-6-19(25)14(20)2/h5-11,18H,4,12-13H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyLGTPTRSVCVMZDG-GOSISDBHSA-N
XLogP5.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(3-ethylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759745
1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135756434
(4S)-4-(4-bromobenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697462
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
(4S)-4-(4-chlorobenzoyl)-1-(3-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759722
(4S)-1-(2,4-difluorophenyl)-4-(3-methoxy-4-propoxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697460
(4R)-4-(2,5-dimethylbenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884617
4-(4-ethylbenzoyl)-1-(4-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986225
4-benzoyl-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654551
(4R)-1-(3-ethylphenyl)-3-methyl-4-(4-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884646
(4S)-1-(2,4-dimethylphenyl)-4-(4-ethylbenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884498
4-(2-chlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986264

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136759749) is (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-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-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1.
What is the InChIKey of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LGTPTRSVCVMZDG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-4-12-31-17-10-8-16(9-11-17)23(30)18-13-21(29)26-24-22(18)15(3)27-28(24)20-7-5-6-19(25)14(20)2/h5-11,18H,4,12-13H2,1-3H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 437.93 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-(4-propoxybenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136759749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).