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

C22H24N4O3 — CID 119355904

IUPAC1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3C(=O)O)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C22H24N4O3/c1-13(2)26-20-17(12-23-26)16(21(27)25-10-4-5-19(25)22(28)29)11-18(24-20)15-8-6-14(3)7-9-15/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,28,29)
InChIKeyGPYBXPBVLZTGBT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.68
Rot. Bonds4

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

1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355904) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119355904
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3C(=O)O)c3cnn(C(C)C)c3n2)cc1
InChIInChI=1S/C22H24N4O3/c1-13(2)26-20-17(12-23-26)16(21(27)25-10-4-5-19(25)22(28)29)11-18(24-20)15-8-6-14(3)7-9-15/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,28,29)
InChIKeyGPYBXPBVLZTGBT-UHFFFAOYSA-N
XLogP3.68
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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
(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371797
(2R)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682042
(2S)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682044
[3-(methylamino)piperidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119491906
2-[(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-2-yl]acetamide
CID 97211737
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 134024042
2-[1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55781059
(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537402
(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120572825
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 119355904) is 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid is Cc1ccc(-c2cc(C(=O)N3CCCC3C(=O)O)c3cnn(C(C)C)c3n2)cc1.
What is the InChIKey of 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GPYBXPBVLZTGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13(2)26-20-17(12-23-26)16(21(27)25-10-4-5-19(25)22(28)29)11-18(24-20)15-8-6-14(3)7-9-15/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,28,29).
What are the key properties of 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid?
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).