ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate

C18H21N7O4 — CID 89464721

IUPACethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1
InChIInChI=1S/C18H21N7O4/c1-3-29-17(27)13-10-19-23(2)15(13)16(26)20-12-4-5-14-21-18(22-25(14)11-12)24-6-8-28-9-7-24/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,26)
InChIKeyMITMUBPVHYFQSG-UHFFFAOYSA-N
MW399.41 g/mol
LogP0.73
Rot. Bonds5

About ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 89464721) has the molecular formula C18H21N7O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID89464721
Molecular FormulaC18H21N7O4
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC Nameethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1
InChIInChI=1S/C18H21N7O4/c1-3-29-17(27)13-10-19-23(2)15(13)16(26)20-12-4-5-14-21-18(22-25(14)11-12)24-6-8-28-9-7-24/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,26)
InChIKeyMITMUBPVHYFQSG-UHFFFAOYSA-N
XLogP0.73
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate (CID 89464721) is ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccc2nc(N3CCOCC3)nn2c1.
What is the InChIKey of ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is MITMUBPVHYFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O4/c1-3-29-17(27)13-10-19-23(2)15(13)16(26)20-12-4-5-14-21-18(22-25(14)11-12)24-6-8-28-9-7-24/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,26).
What are the key properties of ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 399.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 89464721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).