ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate

C20H17FN6O3 — CID 149424094

IUPACethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Cc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C20H17FN6O3/c1-3-30-20(29)14-11-23-26(2)17(14)15(28)9-12-6-8-27-16(10-12)24-19(25-27)13-5-4-7-22-18(13)21/h4-8,10-11H,3,9H2,1-2H3
InChIKeyYTTGPPGGKARTRQ-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.27
Rot. Bonds6

About ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate (PubChem CID 149424094) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate
PubChem CID149424094
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Nameethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Cc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C20H17FN6O3/c1-3-30-20(29)14-11-23-26(2)17(14)15(28)9-12-6-8-27-16(10-12)24-19(25-27)13-5-4-7-22-18(13)21/h4-8,10-11H,3,9H2,1-2H3
InChIKeyYTTGPPGGKARTRQ-UHFFFAOYSA-N
XLogP2.27
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate with MolForge

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Related Compounds

5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
5-[2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775738
5-[2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67776672
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
isopropyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377632
ethyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377633
methyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57378953
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 165414953
Propan-2-yl 1-methyl-4-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-5-carboxylate
CID 165415034
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate (CID 149424094) is ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Cc1ccn2nc(-c3cccnc3F)nc2c1.
What is the InChIKey of ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is YTTGPPGGKARTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-3-30-20(29)14-11-23-26(2)17(14)15(28)9-12-6-8-27-16(10-12)24-19(25-27)13-5-4-7-22-18(13)21/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 408.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 149424094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).