(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

C21H21N3O — CID 177014897

IUPAC(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCCN1C(=O)C[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C21H21N3O/c1-3-23-19(25)14-18(16-10-6-4-7-11-16)20-15(2)22-24(21(20)23)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3/t18-/m0/s1
InChIKeyDDRNSSHKZAAOHN-SFHVURJKSA-N
MW331.42 g/mol
LogP4.07
Rot. Bonds3

About (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 177014897) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
PubChem CID177014897
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCCN1C(=O)C[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C21H21N3O/c1-3-23-19(25)14-18(16-10-6-4-7-11-16)20-15(2)22-24(21(20)23)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3/t18-/m0/s1
InChIKeyDDRNSSHKZAAOHN-SFHVURJKSA-N
XLogP4.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 23610392
5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline
CID 177014693
(4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-(4-ethoxyphenyl)-3-methyl-7-[(2-methylphenyl)methyl]-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92717624
(4R)-1,3,4,7-tetraphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 164854140
(4R)-4-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-7-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92702186
3-methyl-4-[4-(methylamino)phenyl]-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 175774192
(4S,5S)-5-(3,3-dimethyl-2-oxobutyl)-7-ethyl-4-(4-fluorophenyl)-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 167600691
3-methyl-1-(4-nitrophenyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135493499
N-[(4S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]cyclohexanecarboxamide
CID 155424364
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135889034
(4R)-7-benzyl-4-(2,5-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92717611
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-3,7-dimethyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 92720883

Frequently Asked Questions

What is the IUPAC name of (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (CID 177014897) is (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is CCN1C(=O)C[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DDRNSSHKZAAOHN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-23-19(25)14-18(16-10-6-4-7-11-16)20-15(2)22-24(21(20)23)17-12-8-5-9-13-17/h4-13,18H,3,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 331.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 177014897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).