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

C17H21N7O3 — CID 67775879

IUPACethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)CC)nc2c1
InChIInChI=1S/C17H21N7O3/c1-5-22(3)17-20-13-9-11(7-8-24(13)21-17)19-15(25)14-12(10-18-23(14)4)16(26)27-6-2/h7-10H,5-6H2,1-4H3,(H,19,25)
InChIKeyHLKYSLUANCITGX-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.35
Rot. Bonds6

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

ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 67775879) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID67775879
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Nameethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N(C)CC)nc2c1
InChIInChI=1S/C17H21N7O3/c1-5-22(3)17-20-13-9-11(7-8-24(13)21-17)19-15(25)14-12(10-18-23(14)4)16(26)27-6-2/h7-10H,5-6H2,1-4H3,(H,19,25)
InChIKeyHLKYSLUANCITGX-UHFFFAOYSA-N
XLogP1.35
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

CID 57377630
CID 57377630
CID 57377741
CID 57377741
CID 71538978
CID 71538978
CID 57377850
CID 57377850
CID 57377956
CID 57377956
CID 57377960
CID 57377960
CID 57378066
CID 57378066
CID 57378176
CID 57378176
CID 57378391
CID 57378391
CID 57378392
CID 57378392
CID 67774601
CID 67774601
CID 67774901
CID 67774901

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (CID 67775879) is ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-[ethyl(methyl)amino]-[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)CC)nc2c1.
What is the InChIKey of ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is HLKYSLUANCITGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-5-22(3)17-20-13-9-11(7-8-24(13)21-17)19-15(25)14-12(10-18-23(14)4)16(26)27-6-2/h7-10H,5-6H2,1-4H3,(H,19,25).
What are the key properties of ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[ethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67775879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).