(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid

C19H22N4O3S — CID 166227451

IUPAC(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCCn1ncc2c(C(=O)N[C@@H](CC(C)C)C(=O)O)cc(-c3cccs3)nc21
InChIInChI=1S/C19H22N4O3S/c1-4-23-17-13(10-20-23)12(9-14(21-17)16-6-5-7-27-16)18(24)22-15(19(25)26)8-11(2)3/h5-7,9-11,15H,4,8H2,1-3H3,(H,22,24)(H,25,26)/t15-/m0/s1
InChIKeyXDDULEJVDRXVRW-HNNXBMFYSA-N
MW386.48 g/mol
LogP3.41
Rot. Bonds7

About (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid

(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 166227451) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID166227451
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCCn1ncc2c(C(=O)N[C@@H](CC(C)C)C(=O)O)cc(-c3cccs3)nc21
InChIInChI=1S/C19H22N4O3S/c1-4-23-17-13(10-20-23)12(9-14(21-17)16-6-5-7-27-16)18(24)22-15(19(25)26)8-11(2)3/h5-7,9-11,15H,4,8H2,1-3H3,(H,22,24)(H,25,26)/t15-/m0/s1
InChIKeyXDDULEJVDRXVRW-HNNXBMFYSA-N
XLogP3.41
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

1-ethyl-N-(1-pyridin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24642255
1-ethyl-N-(2-methylbutan-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46546226
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24593141
N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25398784
methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24592343
methyl 3-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-2-carboxylate
CID 30175101
1-ethyl-6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 18273145
N-(2-chloro-4-methylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24592615
3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347907
N-(1-cyclopropylethyl)-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24688333
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693995
1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166184572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (CID 166227451) is (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid is CCn1ncc2c(C(=O)N[C@@H](CC(C)C)C(=O)O)cc(-c3cccs3)nc21.
What is the InChIKey of (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is XDDULEJVDRXVRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-4-23-17-13(10-20-23)12(9-14(21-17)16-6-5-7-27-16)18(24)22-15(19(25)26)8-11(2)3/h5-7,9-11,15H,4,8H2,1-3H3,(H,22,24)(H,25,26)/t15-/m0/s1.
What are the key properties of (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 386.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 166227451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).