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

C22H26N6O — CID 169421979

IUPAC4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN1CCC(n2ncc3c2NC(=O)CC3c2cn(C)nc2-c2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-26-10-8-16(9-11-26)28-22-18(13-23-28)17(12-20(29)24-22)19-14-27(2)25-21(19)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H,24,29)
InChIKeyNBWKRIZGLNONHU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.02
Rot. Bonds3

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

4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169421979) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169421979
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCN1CCC(n2ncc3c2NC(=O)CC3c2cn(C)nc2-c2ccccc2)CC1
InChIInChI=1S/C22H26N6O/c1-26-10-8-16(9-11-26)28-22-18(13-23-28)17(12-20(29)24-22)19-14-27(2)25-21(19)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H,24,29)
InChIKeyNBWKRIZGLNONHU-UHFFFAOYSA-N
XLogP3.02
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(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)-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
2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632575
(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800406
(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-(5-phenylfuran-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632453
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 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 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) is 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CN1CCC(n2ncc3c2NC(=O)CC3c2cn(C)nc2-c2ccccc2)CC1.
What is the InChIKey of 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NBWKRIZGLNONHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26-10-8-16(9-11-26)28-22-18(13-23-28)17(12-20(29)24-22)19-14-27(2)25-21(19)15-6-4-3-5-7-15/h3-7,13-14,16-17H,8-12H2,1-2H3,(H,24,29).
What are the key properties of 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 390.49 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3-phenylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169421979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).