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

C22H21N3O3 — CID 135584118

IUPACethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1OC
InChIInChI=1S/C22H21N3O3/c1-3-28-22(26)19-18(15-11-7-8-12-17(15)27-2)16-13-23-25-21(16)24-20(19)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3,(H2,23,24,25)
InChIKeyXSEQLHUUTAJAEE-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.95
Rot. Bonds5

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

ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135584118) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135584118
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Nameethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1OC
InChIInChI=1S/C22H21N3O3/c1-3-28-22(26)19-18(15-11-7-8-12-17(15)27-2)16-13-23-25-21(16)24-20(19)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3,(H2,23,24,25)
InChIKeyXSEQLHUUTAJAEE-UHFFFAOYSA-N
XLogP3.95
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135584118) is ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)Nc2[nH]ncc2C1c1ccccc1OC.
What is the InChIKey of ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is XSEQLHUUTAJAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-28-22(26)19-18(15-11-7-8-12-17(15)27-2)16-13-23-25-21(16)24-20(19)14-9-5-4-6-10-14/h4-13,18H,3H2,1-2H3,(H2,23,24,25).
What are the key properties of ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135584118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).