1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid

C19H20N4O4 — CID 119354813

IUPAC1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)N3CCC(C(=O)O)C3)cc(-c3ccco3)nc21
InChIInChI=1S/C19H20N4O4/c1-11(2)23-17-14(9-20-23)13(8-15(21-17)16-4-3-7-27-16)18(24)22-6-5-12(10-22)19(25)26/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,25,26)
InChIKeyOKWDJTDMCYMONP-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.82
Rot. Bonds4

About 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid

1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354813) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119354813
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)n1ncc2c(C(=O)N3CCC(C(=O)O)C3)cc(-c3ccco3)nc21
InChIInChI=1S/C19H20N4O4/c1-11(2)23-17-14(9-20-23)13(8-15(21-17)16-4-3-7-27-16)18(24)22-6-5-12(10-22)19(25)26/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,25,26)
InChIKeyOKWDJTDMCYMONP-UHFFFAOYSA-N
XLogP2.82
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 97325176
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 51291729
[3-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 119596507
[(3R)-3-(dimethylamino)piperidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 95143619
(2S)-1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365882
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51291906
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone;dihydrochloride
CID 120817206
N-[1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86914730
N,N-diethyl-4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazine-1-carboxamide
CID 38719391
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38601162
4-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 33008288
2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]acetic acid
CID 119346529

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid (CID 119354813) is 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid is CC(C)n1ncc2c(C(=O)N3CCC(C(=O)O)C3)cc(-c3ccco3)nc21.
What is the InChIKey of 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OKWDJTDMCYMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11(2)23-17-14(9-20-23)13(8-15(21-17)16-4-3-7-27-16)18(24)22-6-5-12(10-22)19(25)26/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,25,26).
What are the key properties of 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid?
1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).