ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate

C21H23ClN4O2 — CID 10960333

IUPACethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C21H23ClN4O2/c1-2-28-21(27)19-14-23-26-9-3-4-16(20(19)26)15-24-10-12-25(13-11-24)18-7-5-17(22)6-8-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyHZVQDNHDCAXRJP-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.49
Rot. Bonds5

About ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 10960333) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID10960333
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Nameethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C21H23ClN4O2/c1-2-28-21(27)19-14-23-26-9-3-4-16(20(19)26)15-24-10-12-25(13-11-24)18-7-5-17(22)6-8-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyHZVQDNHDCAXRJP-UHFFFAOYSA-N
XLogP3.49
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 10960333) is ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is HZVQDNHDCAXRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-2-28-21(27)19-14-23-26-9-3-4-16(20(19)26)15-24-10-12-25(13-11-24)18-7-5-17(22)6-8-18/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 398.89 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 10960333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).