[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C18H19N5O4S — CID 46693995

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OC(C)C(=O)NC(=O)NC)cc(-c3cccs3)nc21
InChIInChI=1S/C18H19N5O4S/c1-4-23-15-12(9-20-23)11(8-13(21-15)14-6-5-7-28-14)17(25)27-10(2)16(24)22-18(26)19-3/h5-10H,4H2,1-3H3,(H2,19,22,24,26)
InChIKeyMKAFQMXARKFFMN-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.18
Rot. Bonds5

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46693995) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID46693995
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OC(C)C(=O)NC(=O)NC)cc(-c3cccs3)nc21
InChIInChI=1S/C18H19N5O4S/c1-4-23-15-12(9-20-23)11(8-13(21-15)14-6-5-7-28-14)17(25)27-10(2)16(24)22-18(26)19-3/h5-10H,4H2,1-3H3,(H2,19,22,24,26)
InChIKeyMKAFQMXARKFFMN-UHFFFAOYSA-N
XLogP2.18
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693974
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25499383
[2-(dimethylamino)-2-oxo-1-phenylethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694189
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42970739
methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24592343
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694037
(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 166227451
methyl 3-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-2-carboxylate
CID 30175101
1-ethyl-N-(2-methylbutan-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46546226
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694410
[1-(benzylamino)-1-oxopropan-2-yl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693529
1-ethyl-N-(1-pyridin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24642255

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46693995) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OC(C)C(=O)NC(=O)NC)cc(-c3cccs3)nc21.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is MKAFQMXARKFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-4-23-15-12(9-20-23)11(8-13(21-15)14-6-5-7-28-14)17(25)27-10(2)16(24)22-18(26)19-3/h5-10H,4H2,1-3H3,(H2,19,22,24,26).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 401.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46693995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).