N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C19H20N6OS — CID 19470239

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2nc(C)c3c(-c4cccs4)ccnc32)c(C)n1
InChIInChI=1S/C19H20N6OS/c1-4-24-10-15(12(2)22-24)21-17(26)11-25-19-18(13(3)23-25)14(7-8-20-19)16-6-5-9-27-16/h5-10H,4,11H2,1-3H3,(H,21,26)
InChIKeyUZRKHAUOVIKRTH-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.63
Rot. Bonds5

About N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 19470239) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID19470239
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCCn1cc(NC(=O)Cn2nc(C)c3c(-c4cccs4)ccnc32)c(C)n1
InChIInChI=1S/C19H20N6OS/c1-4-24-10-15(12(2)22-24)21-17(26)11-25-19-18(13(3)23-25)14(7-8-20-19)16-6-5-9-27-16/h5-10H,4,11H2,1-3H3,(H,21,26)
InChIKeyUZRKHAUOVIKRTH-UHFFFAOYSA-N
XLogP3.63
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470056
N-(2,6-dichlorophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19469970
N-(3,5-dichlorophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19469924
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470185
N-(3-methylphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470053
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470012
N-(2-methoxy-4-nitrophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470018
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470198
N-(1-adamantylmethyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470111
1-(azepan-1-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)ethanone
CID 19469933
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470120
methyl 2-[[2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19469993

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 19470239) is N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide is CCn1cc(NC(=O)Cn2nc(C)c3c(-c4cccs4)ccnc32)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is UZRKHAUOVIKRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-4-24-10-15(12(2)22-24)21-17(26)11-25-19-18(13(3)23-25)14(7-8-20-19)16-6-5-9-27-16/h5-10H,4,11H2,1-3H3,(H,21,26).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 380.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 19470239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).