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

C17H21N5O2 — CID 169416102

IUPAC1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN1CCC(n2ncc3c2NC(=O)CC3c2ccc[nH]c2=O)CC1
InChIInChI=1S/C17H21N5O2/c1-21-7-4-11(5-8-21)22-16-14(10-19-22)13(9-15(23)20-16)12-3-2-6-18-17(12)24/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,18,24)(H,20,23)
InChIKeyZZSFYXHUPQJEFA-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.31
Rot. Bonds2

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

1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169416102) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169416102
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN1CCC(n2ncc3c2NC(=O)CC3c2ccc[nH]c2=O)CC1
InChIInChI=1S/C17H21N5O2/c1-21-7-4-11(5-8-21)22-16-14(10-19-22)13(9-15(23)20-16)12-3-2-6-18-17(12)24/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,18,24)(H,20,23)
InChIKeyZZSFYXHUPQJEFA-UHFFFAOYSA-N
XLogP1.31
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
(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
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
(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800406
(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-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826183
(4R)-1-cyclopentyl-4-(4-methylsulfonylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800408
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523
1-cyclopentyl-4-(3,5-difluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412915
(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
(4R)-1-(oxan-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 97265132

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 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) is 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CN1CCC(n2ncc3c2NC(=O)CC3c2ccc[nH]c2=O)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZZSFYXHUPQJEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-7-4-11(5-8-21)22-16-14(10-19-22)13(9-15(23)20-16)12-3-2-6-18-17(12)24/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,18,24)(H,20,23).
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 327.39 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169416102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).