ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C21H18ClN3O2 — CID 135584151

IUPACethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-2-27-21(26)18-17(14-10-6-7-11-16(14)22)15-12-23-25-20(15)24-19(18)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H2,23,24,25)
InChIKeyQHGGVJXZAYKNSY-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.59
Rot. Bonds4

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

ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135584151) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135584151
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Nameethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-2-27-21(26)18-17(14-10-6-7-11-16(14)22)15-12-23-25-20(15)24-19(18)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H2,23,24,25)
InChIKeyQHGGVJXZAYKNSY-UHFFFAOYSA-N
XLogP4.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135584151) is ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is QHGGVJXZAYKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-2-27-21(26)18-17(14-10-6-7-11-16(14)22)15-12-23-25-20(15)24-19(18)13-8-4-3-5-9-13/h3-12,17H,2H2,1H3,(H2,23,24,25).
What are the key properties of ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 379.85 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135584151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).