ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate

C20H21ClN4O2 — CID 71516164

IUPACethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C20H21ClN4O2/c1-2-27-20(26)14-8-11-24(12-9-14)19-17-7-10-22-13-18(17)25(23-19)16-5-3-15(21)4-6-16/h3-7,10,13-14H,2,8-9,11-12H2,1H3
InChIKeyVHYFPFMABNAQAX-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.85
Rot. Bonds4

About ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate

ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate (PubChem CID 71516164) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate
PubChem CID71516164
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Nameethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C20H21ClN4O2/c1-2-27-20(26)14-8-11-24(12-9-14)19-17-7-10-22-13-18(17)25(23-19)16-5-3-15(21)4-6-16/h3-7,10,13-14H,2,8-9,11-12H2,1H3
InChIKeyVHYFPFMABNAQAX-UHFFFAOYSA-N
XLogP3.85
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate (CID 71516164) is ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate?
The InChIKey is VHYFPFMABNAQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-2-27-20(26)14-8-11-24(12-9-14)19-17-7-10-22-13-18(17)25(23-19)16-5-3-15(21)4-6-16/h3-7,10,13-14H,2,8-9,11-12H2,1H3.
What are the key properties of ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate?
ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate has a molecular weight of 384.87 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 71516164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).