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

C26H23N3O3 — CID 172615357

IUPACethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2c(C(=O)NC3Cc4ccccc4C3)cccc12
InChIInChI=1S/C26H23N3O3/c1-2-32-26(31)23-21-13-8-14-22(29(21)28-24(23)17-9-4-3-5-10-17)25(30)27-20-15-18-11-6-7-12-19(18)16-20/h3-14,20H,2,15-16H2,1H3,(H,27,30)
InChIKeyGHDOQHGIWNOMRH-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.08
Rot. Bonds5

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

ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 172615357) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID172615357
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Nameethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2c(C(=O)NC3Cc4ccccc4C3)cccc12
InChIInChI=1S/C26H23N3O3/c1-2-32-26(31)23-21-13-8-14-22(29(21)28-24(23)17-9-4-3-5-10-17)25(30)27-20-15-18-11-6-7-12-19(18)16-20/h3-14,20H,2,15-16H2,1H3,(H,27,30)
InChIKeyGHDOQHGIWNOMRH-UHFFFAOYSA-N
XLogP4.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 172615550
7-ethoxycarbonyl-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 44550354
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961
ethyl 3-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzoate
CID 3869114
ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018322
1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 20814936
ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
CID 3679782
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 172615357) is ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nn2c(C(=O)NC3Cc4ccccc4C3)cccc12.
What is the InChIKey of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is GHDOQHGIWNOMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-2-32-26(31)23-21-13-8-14-22(29(21)28-24(23)17-9-4-3-5-10-17)25(30)27-20-15-18-11-6-7-12-19(18)16-20/h3-14,20H,2,15-16H2,1H3,(H,27,30).
What are the key properties of ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 4.08, 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-phenylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 172615357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).