(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H20N6OS — CID 136820565

IUPAC(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCSc1ncc([C@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)cn1
InChIInChI=1S/C19H20N6OS/c1-2-6-27-19-21-9-14(10-22-19)15-7-17(26)24-18-16(15)11-23-25(18)12-13-4-3-5-20-8-13/h3-5,8-11,15H,2,6-7,12H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyCAIFPKCNCMDBFD-OAHLLOKOSA-N
MW380.48 g/mol
LogP3.09
Rot. Bonds6

About (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136820565) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136820565
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCSc1ncc([C@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)cn1
InChIInChI=1S/C19H20N6OS/c1-2-6-27-19-21-9-14(10-22-19)15-7-17(26)24-18-16(15)11-23-25(18)12-13-4-3-5-20-8-13/h3-5,8-11,15H,2,6-7,12H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyCAIFPKCNCMDBFD-OAHLLOKOSA-N
XLogP3.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[(4S)-6-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-1H-pyrazole-5-carboxylate
CID 136811765
4-(5-methoxy-2-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170511511
1-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632597
(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713796
(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
2-(1-benzyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzonitrile
CID 170502552
1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655913
(4S)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899685
1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171911372
1-ethyl-4-[3-(2-hydroxyethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420538
4-[1-[(4-chlorophenyl)methyl]-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135632410
(4S)-4-(1-methylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899655

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136820565) is (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCCSc1ncc([C@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)cn1.
What is the InChIKey of (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CAIFPKCNCMDBFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-2-6-27-19-21-9-14(10-22-19)15-7-17(26)24-18-16(15)11-23-25(18)12-13-4-3-5-20-8-13/h3-5,8-11,15H,2,6-7,12H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 380.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136820565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).