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

C19H16FN7O3 — CID 67776672

IUPACethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C19H16FN7O3/c1-3-30-19(29)13-10-22-26(2)15(13)18(28)23-11-6-8-27-14(9-11)24-17(25-27)12-5-4-7-21-16(12)20/h4-10H,3H2,1-2H3,(H,23,28)
InChIKeyDVUCCDOLWUDVJS-UHFFFAOYSA-N
MW409.38 g/mol
LogP2.09
Rot. Bonds5

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

ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 67776672) has the molecular formula C19H16FN7O3 and a molecular weight of 409.38 g/mol. Its IUPAC name is ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID67776672
Molecular FormulaC19H16FN7O3
Molecular Weight409.38 g/mol
Exact Mass409.13
IUPAC Nameethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C19H16FN7O3/c1-3-30-19(29)13-10-22-26(2)15(13)18(28)23-11-6-8-27-14(9-11)24-17(25-27)12-5-4-7-21-16(12)20/h4-10H,3H2,1-2H3,(H,23,28)
InChIKeyDVUCCDOLWUDVJS-UHFFFAOYSA-N
XLogP2.09
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate (CID 67776672) is ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[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-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1.
What is the InChIKey of ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is DVUCCDOLWUDVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O3/c1-3-30-19(29)13-10-22-26(2)15(13)18(28)23-11-6-8-27-14(9-11)24-17(25-27)12-5-4-7-21-16(12)20/h4-10H,3H2,1-2H3,(H,23,28).
What are the key properties of ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 409.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67776672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).