(2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C20H20FN3O2 — CID 43024362

IUPAC(2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)n1ncc2c(C(=O)OCc3ccccc3F)cc(C3CC3)nc21
InChIInChI=1S/C20H20FN3O2/c1-12(2)24-19-16(10-22-24)15(9-18(23-19)13-7-8-13)20(25)26-11-14-5-3-4-6-17(14)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyHMYYOUSFDBEPJH-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.39
Rot. Bonds5

About (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

(2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 43024362) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID43024362
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)n1ncc2c(C(=O)OCc3ccccc3F)cc(C3CC3)nc21
InChIInChI=1S/C20H20FN3O2/c1-12(2)24-19-16(10-22-24)15(9-18(23-19)13-7-8-13)20(25)26-11-14-5-3-4-6-17(14)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChIKeyHMYYOUSFDBEPJH-UHFFFAOYSA-N
XLogP4.39
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42897722
6-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78791765
6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60571985
N-benzyl-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27665854
[1-oxo-1-(2-phenylanilino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024349
6-cyclopropyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41439235
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979
6-cyclopropyl-1-propan-2-yl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35034977
methyl 6-[(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 31840060
6-cyclopropyl-N-[(1R,2S)-2-fluorocyclopropyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 155957595
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 43024362) is (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(C)n1ncc2c(C(=O)OCc3ccccc3F)cc(C3CC3)nc21.
What is the InChIKey of (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HMYYOUSFDBEPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12(2)24-19-16(10-22-24)15(9-18(23-19)13-7-8-13)20(25)26-11-14-5-3-4-6-17(14)21/h3-6,9-10,12-13H,7-8,11H2,1-2H3.
What are the key properties of (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
(2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 43024362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).