ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate

C22H19N3O2 — CID 134853494

IUPACethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)c(-c1ccc(C)cc1)nn2-c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-3-27-22(26)17-13-19-20(16-11-9-15(2)10-12-16)24-25(21(19)23-14-17)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3
InChIKeyYPVMLZQXLHSZQO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.57
Rot. Bonds4

About ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 134853494) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID134853494
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Nameethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)c(-c1ccc(C)cc1)nn2-c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-3-27-22(26)17-13-19-20(16-11-9-15(2)10-12-16)24-25(21(19)23-14-17)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3
InChIKeyYPVMLZQXLHSZQO-UHFFFAOYSA-N
XLogP4.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852512
1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
ethyl 1-(4-tert-butylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852601
ethyl 3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline-8-carboxylate
CID 46251423
diethyl pyrido[2,3-b]indole-3,9-dicarboxylate
CID 11723020
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 10-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 53483485
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 16522577
ethyl 5-butan-2-yl-1,3-diphenylpyrazole-4-carboxylate
CID 102030318
ethyl benzoate;toluene
CID 23150750

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 134853494) is ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c1)c(-c1ccc(C)cc1)nn2-c1ccccc1.
What is the InChIKey of ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is YPVMLZQXLHSZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-3-27-22(26)17-13-19-20(16-11-9-15(2)10-12-16)24-25(21(19)23-14-17)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 134853494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).