ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C18H19ClFN3O2 — CID 135583851

IUPACethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2c(F)cccc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C18H19ClFN3O2/c1-3-6-13-16(18(24)25-4-2)14(10-9-21-23-17(10)22-13)15-11(19)7-5-8-12(15)20/h5,7-9,14H,3-4,6H2,1-2H3,(H2,21,22,23)
InChIKeyPUXJBRMCSFEZAO-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.38
Rot. Bonds5

About ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135583851) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135583851
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Nameethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2c(F)cccc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C18H19ClFN3O2/c1-3-6-13-16(18(24)25-4-2)14(10-9-21-23-17(10)22-13)15-11(19)7-5-8-12(15)20/h5,7-9,14H,3-4,6H2,1-2H3,(H2,21,22,23)
InChIKeyPUXJBRMCSFEZAO-UHFFFAOYSA-N
XLogP4.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135583851) is ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2c(F)cccc2Cl)c2cn[nH]c2N1.
What is the InChIKey of ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is PUXJBRMCSFEZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-3-6-13-16(18(24)25-4-2)14(10-9-21-23-17(10)22-13)15-11(19)7-5-8-12(15)20/h5,7-9,14H,3-4,6H2,1-2H3,(H2,21,22,23).
What are the key properties of ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 363.82 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chloro-6-fluorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135583851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).