propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C17H18FN3O2 — CID 135583911

IUPACpropan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccccc2F)c2cn[nH]c2N1
InChIInChI=1S/C17H18FN3O2/c1-9(2)23-17(22)14-10(3)20-16-12(8-19-21-16)15(14)11-6-4-5-7-13(11)18/h4-9,15H,1-3H3,(H2,19,20,21)
InChIKeyFZBHKLJIFGHUDA-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.33
Rot. Bonds3

About propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135583911) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135583911
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Namepropan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccccc2F)c2cn[nH]c2N1
InChIInChI=1S/C17H18FN3O2/c1-9(2)23-17(22)14-10(3)20-16-12(8-19-21-16)15(14)11-6-4-5-7-13(11)18/h4-9,15H,1-3H3,(H2,19,20,21)
InChIKeyFZBHKLJIFGHUDA-UHFFFAOYSA-N
XLogP3.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135583911) is propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccccc2F)c2cn[nH]c2N1.
What is the InChIKey of propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is FZBHKLJIFGHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-9(2)23-17(22)14-10(3)20-16-12(8-19-21-16)15(14)11-6-4-5-7-13(11)18/h4-9,15H,1-3H3,(H2,19,20,21).
What are the key properties of propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135583911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).