N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C17H20N4O2S — CID 56826354

IUPACN-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)N(C)Cc1ccsc1)c(=O)[nH]n2C
InChIInChI=1S/C17H20N4O2S/c1-10-13(7-14(22)20(3)8-12-5-6-24-9-12)11(2)18-16-15(10)17(23)19-21(16)4/h5-6,9H,7-8H2,1-4H3,(H,19,23)
InChIKeyADFALAVTIJDUSY-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 56826354) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID56826354
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1nc2c(c(C)c1CC(=O)N(C)Cc1ccsc1)c(=O)[nH]n2C
InChIInChI=1S/C17H20N4O2S/c1-10-13(7-14(22)20(3)8-12-5-6-24-9-12)11(2)18-16-15(10)17(23)19-21(16)4/h5-6,9H,7-8H2,1-4H3,(H,19,23)
InChIKeyADFALAVTIJDUSY-UHFFFAOYSA-N
XLogP2.14
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 56826354) is N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1nc2c(c(C)c1CC(=O)N(C)Cc1ccsc1)c(=O)[nH]n2C.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is ADFALAVTIJDUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-13(7-14(22)20(3)8-12-5-6-24-9-12)11(2)18-16-15(10)17(23)19-21(16)4/h5-6,9H,7-8H2,1-4H3,(H,19,23).
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 56826354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).