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

C19H21N5OS — CID 136820698

IUPAC(4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN(C)Cc1csc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccncc2)c1
InChIInChI=1S/C19H21N5OS/c1-23(2)10-14-7-17(26-12-14)15-8-18(25)22-19-16(15)9-21-24(19)11-13-3-5-20-6-4-13/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyHFKGBVNKPVGGNJ-OAHLLOKOSA-N
MW367.48 g/mol
LogP2.92
Rot. Bonds5

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

(4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136820698) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136820698
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN(C)Cc1csc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccncc2)c1
InChIInChI=1S/C19H21N5OS/c1-23(2)10-14-7-17(26-12-14)15-8-18(25)22-19-16(15)9-21-24(19)11-13-3-5-20-6-4-13/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyHFKGBVNKPVGGNJ-OAHLLOKOSA-N
XLogP2.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[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)-4-[2-(ethylamino)pyrimidin-5-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136698029
(4S)-1-(pyridin-4-ylmethyl)-4-[4-(1,2,4-triazol-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713773
1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171911372
(4S)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899685
(4S)-1-(thiophen-2-ylmethyl)-4-(2,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899558
2-(1-benzyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzonitrile
CID 170502552
(4S)-4-(1-methylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899655
(4R)-4-(3-chloro-4-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899758
1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655913
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
CID 171339502
4-[1-[(4-chlorophenyl)methyl]-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135632410
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135894036

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136820698) is (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CN(C)Cc1csc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccncc2)c1.
What is the InChIKey of (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HFKGBVNKPVGGNJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-23(2)10-14-7-17(26-12-14)15-8-18(25)22-19-16(15)9-21-24(19)11-13-3-5-20-6-4-13/h3-7,9,12,15H,8,10-11H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 367.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[(dimethylamino)methyl]thiophen-2-yl]-1-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136820698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).