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

C21H20N6O4 — CID 67775649

IUPACethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3OC)nc2c1
InChIInChI=1S/C21H20N6O4/c1-4-31-21(29)15-12-22-26(2)18(15)20(28)23-13-9-10-27-17(11-13)24-19(25-27)14-7-5-6-8-16(14)30-3/h5-12H,4H2,1-3H3,(H,23,28)
InChIKeyNHVLCCCRJOIINZ-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.57
Rot. Bonds6

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

ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 67775649) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID67775649
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC Nameethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3OC)nc2c1
InChIInChI=1S/C21H20N6O4/c1-4-31-21(29)15-12-22-26(2)18(15)20(28)23-13-9-10-27-17(11-13)24-19(25-27)14-7-5-6-8-16(14)30-3/h5-12H,4H2,1-3H3,(H,23,28)
InChIKeyNHVLCCCRJOIINZ-UHFFFAOYSA-N
XLogP2.57
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (CID 67775649) is ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3OC)nc2c1.
What is the InChIKey of ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is NHVLCCCRJOIINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c1-4-31-21(29)15-12-22-26(2)18(15)20(28)23-13-9-10-27-17(11-13)24-19(25-27)14-7-5-6-8-16(14)30-3/h5-12H,4H2,1-3H3,(H,23,28).
What are the key properties of ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 420.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67775649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).