ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate

C16H19N7O3 — CID 67774271

IUPACethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)C)nc2c1
InChIInChI=1S/C16H19N7O3/c1-5-26-15(25)11-9-17-22(4)13(11)14(24)18-10-6-7-23-12(8-10)19-16(20-23)21(2)3/h6-9H,5H2,1-4H3,(H,18,24)
InChIKeyZHFYIPURKCSQFS-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.96
Rot. Bonds5

About ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 67774271) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID67774271
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Nameethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)C)nc2c1
InChIInChI=1S/C16H19N7O3/c1-5-26-15(25)11-9-17-22(4)13(11)14(24)18-10-6-7-23-12(8-10)19-16(20-23)21(2)3/h6-9H,5H2,1-4H3,(H,18,24)
InChIKeyZHFYIPURKCSQFS-UHFFFAOYSA-N
XLogP0.96
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (CID 67774271) is ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)C)nc2c1.
What is the InChIKey of ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is ZHFYIPURKCSQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-5-26-15(25)11-9-17-22(4)13(11)14(24)18-10-6-7-23-12(8-10)19-16(20-23)21(2)3/h6-9H,5H2,1-4H3,(H,18,24).
What are the key properties of ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67774271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).