(4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H24N4OS — CID 136737671

IUPAC(4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c([C@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)sc2ccccc12
InChIInChI=1S/C21H24N4OS/c1-13-15-5-3-4-6-18(15)27-20(13)16-11-19(26)23-21-17(16)12-22-25(21)14-7-9-24(2)10-8-14/h3-6,12,14,16H,7-11H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyAAFDDYPDUJNWJB-INIZCTEOSA-N
MW380.52 g/mol
LogP4.15
Rot. Bonds2

About (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136737671) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136737671
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c([C@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)sc2ccccc12
InChIInChI=1S/C21H24N4OS/c1-13-15-5-3-4-6-18(15)27-20(13)16-11-19(26)23-21-17(16)12-22-25(21)14-7-9-24(2)10-8-14/h3-6,12,14,16H,7-11H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyAAFDDYPDUJNWJB-INIZCTEOSA-N
XLogP4.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416102
4-imidazo[1,2-a]pyridin-3-yl-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170505398
4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169421979
4-(3-methyl-1,2-oxazol-5-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169415772
(4R)-1-cyclopentyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826183
(4R)-1-cyclopentyl-4-(3,5-dimethyl-1,2-oxazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887461
(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697876
(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800408
(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800406
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
1-cyclopentyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632536
1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412915

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136737671) is (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1c([C@H]2CC(=O)Nc3c2cnn3C2CCN(C)CC2)sc2ccccc12.
What is the InChIKey of (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AAFDDYPDUJNWJB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-13-15-5-3-4-6-18(15)27-20(13)16-11-19(26)23-21-17(16)12-22-25(21)14-7-9-24(2)10-8-14/h3-6,12,14,16H,7-11H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 380.52 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-methyl-1-benzothiophen-2-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136737671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).