ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate

C17H15N3O3 — CID 162644919

IUPACethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ncccc12
InChIInChI=1S/C17H15N3O3/c1-3-23-17(22)14-13-8-5-9-18-15(13)20(19-14)16(21)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyAGUKXAFUIFROQH-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.60
Rot. Bonds3

About ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate

ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 162644919) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID162644919
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Nameethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ncccc12
InChIInChI=1S/C17H15N3O3/c1-3-23-17(22)14-13-8-5-9-18-15(13)20(19-14)16(21)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyAGUKXAFUIFROQH-UHFFFAOYSA-N
XLogP2.60
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
methyl 3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 17025734
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
Propan-2-yl 1-methyl-4-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-5-carboxylate
CID 165415034
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
[2-(4-Methoxycarbonylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2547990
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 162644919) is ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate is CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ncccc12.
What is the InChIKey of ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is AGUKXAFUIFROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-3-23-17(22)14-13-8-5-9-18-15(13)20(19-14)16(21)12-7-4-6-11(2)10-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 162644919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).