ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate

C26H22FN3O3 — CID 172615550

IUPACethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2F)nn2c(C(=O)NC3Cc4ccccc4C3)cccc12
InChIInChI=1S/C26H22FN3O3/c1-2-33-26(32)23-21-12-7-13-22(30(21)29-24(23)19-10-5-6-11-20(19)27)25(31)28-18-14-16-8-3-4-9-17(16)15-18/h3-13,18H,2,14-15H2,1H3,(H,28,31)
InChIKeyAJYBCMBVVWXJGL-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.21
Rot. Bonds5

About ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 172615550) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID172615550
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC Nameethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2F)nn2c(C(=O)NC3Cc4ccccc4C3)cccc12
InChIInChI=1S/C26H22FN3O3/c1-2-33-26(32)23-21-12-7-13-22(30(21)29-24(23)19-10-5-6-11-20(19)27)25(31)28-18-14-16-8-3-4-9-17(16)15-18/h3-13,18H,2,14-15H2,1H3,(H,28,31)
InChIKeyAJYBCMBVVWXJGL-UHFFFAOYSA-N
XLogP4.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 172615550) is ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2F)nn2c(C(=O)NC3Cc4ccccc4C3)cccc12.
What is the InChIKey of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is AJYBCMBVVWXJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-2-33-26(32)23-21-12-7-13-22(30(21)29-24(23)19-10-5-6-11-20(19)27)25(31)28-18-14-16-8-3-4-9-17(16)15-18/h3-13,18H,2,14-15H2,1H3,(H,28,31).
What are the key properties of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 443.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 172615550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).