1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one

C17H24N4O2 — CID 95317475

IUPAC1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1nc2c(c(C)c1CC(=O)N1CCCC[C@@H]1C)c(=O)[nH]n2C
InChIInChI=1S/C17H24N4O2/c1-10-7-5-6-8-21(10)14(22)9-13-11(2)15-16(18-12(13)3)20(4)19-17(15)23/h10H,5-9H2,1-4H3,(H,19,23)/t10-/m0/s1
InChIKeyMFTNMEDRGCXPAM-JTQLQIEISA-N
MW316.41 g/mol
LogP1.82
Rot. Bonds2

About 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one

1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 95317475) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID95317475
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1nc2c(c(C)c1CC(=O)N1CCCC[C@@H]1C)c(=O)[nH]n2C
InChIInChI=1S/C17H24N4O2/c1-10-7-5-6-8-21(10)14(22)9-13-11(2)15-16(18-12(13)3)20(4)19-17(15)23/h10H,5-9H2,1-4H3,(H,19,23)/t10-/m0/s1
InChIKeyMFTNMEDRGCXPAM-JTQLQIEISA-N
XLogP1.82
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 119435162
1,4,6-trimethyl-5-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one
CID 119649361
1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride
CID 119488813
N-(4-aminocyclohexyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119475374
N-[(3S)-1-ethylpiperidin-3-yl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 95282758
N-(oxetan-3-yl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 155953615
N-(2-amino-2-methylpropyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119626783
5-[2-(3,3-dimethyl-2-thiophen-2-ylazetidin-1-yl)-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 126810955
3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid
CID 39869734
N-(2-pyrrolidin-3-ylethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119534402
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 120945697
5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride
CID 120747319

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one (CID 95317475) is 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1nc2c(c(C)c1CC(=O)N1CCCC[C@@H]1C)c(=O)[nH]n2C.
What is the InChIKey of 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is MFTNMEDRGCXPAM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10-7-5-6-8-21(10)14(22)9-13-11(2)15-16(18-12(13)3)20(4)19-17(15)23/h10H,5-9H2,1-4H3,(H,19,23)/t10-/m0/s1.
What are the key properties of 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one?
1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 316.41 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-5-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 95317475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).