ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate

C19H23N3O2 — CID 141073497

IUPACethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2)c2cnn(C)c2N1
InChIInChI=1S/C19H23N3O2/c1-4-9-15-17(19(23)24-5-2)16(13-10-7-6-8-11-13)14-12-20-22(3)18(14)21-15/h6-8,10-12,16,21H,4-5,9H2,1-3H3
InChIKeyZEBREFUTILOPSR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.59
Rot. Bonds5

About ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 141073497) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID141073497
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nameethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2)c2cnn(C)c2N1
InChIInChI=1S/C19H23N3O2/c1-4-9-15-17(19(23)24-5-2)16(13-10-7-6-8-11-13)14-12-20-22(3)18(14)21-15/h6-8,10-12,16,21H,4-5,9H2,1-3H3
InChIKeyZEBREFUTILOPSR-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584073
ethyl 4-naphthalen-2-yl-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135617682
ethyl 4-phenyl-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 102424164
ethyl (4S)-4-(3-chlorophenyl)-1-ethyl-6-methyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 136719015
ethyl (7R)-5-propyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 734005
ethyl (7R)-7-(2-methylphenyl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135611642
ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate
CID 25136014
diethyl 2-methyl-4-phenyl-6-(phenylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 19857279
ethyl 7-(3-methylphenyl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3160686
ethyl 7,7-dimethyl-5-oxo-4-(4-phenylphenyl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 58512904
ethyl 5-ethyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
CID 170528717
ethyl (4R)-2-propyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7339097

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate (CID 141073497) is ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccccc2)c2cnn(C)c2N1.
What is the InChIKey of ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is ZEBREFUTILOPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-9-15-17(19(23)24-5-2)16(13-10-7-6-8-11-13)14-12-20-22(3)18(14)21-15/h6-8,10-12,16,21H,4-5,9H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-phenyl-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 141073497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).