(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

C19H20N4O3S — CID 119371797

IUPAC(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)N3CCC[C@@H]3C(=O)O)cc(-c3cccs3)nc21
InChIInChI=1S/C19H20N4O3S/c1-11(2)23-17-13(10-20-23)12(9-14(21-17)16-6-4-8-27-16)18(24)22-7-3-5-15(22)19(25)26/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,25,26)/t15-/m1/s1
InChIKeyJQCUQEGBZYIJSI-OAHLLOKOSA-N
MW384.46 g/mol
LogP3.43
Rot. Bonds4

About (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119371797) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119371797
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)N3CCC[C@@H]3C(=O)O)cc(-c3cccs3)nc21
InChIInChI=1S/C19H20N4O3S/c1-11(2)23-17-13(10-20-23)12(9-14(21-17)16-6-4-8-27-16)18(24)22-7-3-5-15(22)19(25)26/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,25,26)/t15-/m1/s1
InChIKeyJQCUQEGBZYIJSI-OAHLLOKOSA-N
XLogP3.43
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119631004
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119631003
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355904
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313
(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365882
(4-aminopiperidin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119372936
(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55584127
(3S,4S)-4-methyl-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952362
(2S)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682044
(2R)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682042
(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119364932
N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119371797) is (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is CC(C)n1ncc2c(C(=O)N3CCC[C@@H]3C(=O)O)cc(-c3cccs3)nc21.
What is the InChIKey of (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JQCUQEGBZYIJSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-11(2)23-17-13(10-20-23)12(9-14(21-17)16-6-4-8-27-16)18(24)22-7-3-5-15(22)19(25)26/h4,6,8-11,15H,3,5,7H2,1-2H3,(H,25,26)/t15-/m1/s1.
What are the key properties of (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).