methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate

C17H19N5O3 — CID 51187269

IUPACmethyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCc2nnc3ccccn23)c(C)c1C(=O)OC
InChIInChI=1S/C17H19N5O3/c1-4-11-14(17(24)25-3)10(2)15(19-11)16(23)18-9-13-21-20-12-7-5-6-8-22(12)13/h5-8,19H,4,9H2,1-3H3,(H,18,23)
InChIKeySZTSHQXGSPGMRD-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.64
Rot. Bonds5

About methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate

methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate (PubChem CID 51187269) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
PubChem CID51187269
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Namemethyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCc2nnc3ccccn23)c(C)c1C(=O)OC
InChIInChI=1S/C17H19N5O3/c1-4-11-14(17(24)25-3)10(2)15(19-11)16(23)18-9-13-21-20-12-7-5-6-8-22(12)13/h5-8,19H,4,9H2,1-3H3,(H,18,23)
InChIKeySZTSHQXGSPGMRD-UHFFFAOYSA-N
XLogP1.64
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
3,6,6-trimethyl-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-5,7-dihydro-1H-indole-2-carboxamide
CID 9120452
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 134025012
methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 138995343
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 39966669
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 27848565

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate (CID 51187269) is methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NCc2nnc3ccccn23)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate?
The InChIKey is SZTSHQXGSPGMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-4-11-14(17(24)25-3)10(2)15(19-11)16(23)18-9-13-21-20-12-7-5-6-8-22(12)13/h5-8,19H,4,9H2,1-3H3,(H,18,23).
What are the key properties of methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51187269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).