methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate

C19H19ClN4O2 — CID 71516297

IUPACmethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C19H19ClN4O2/c1-26-19(25)16-4-2-3-11-23(16)18-15-9-10-21-12-17(15)24(22-18)14-7-5-13(20)6-8-14/h5-10,12,16H,2-4,11H2,1H3
InChIKeyZQBOZHVEHAAULJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.61
Rot. Bonds3

About methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate

methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate (PubChem CID 71516297) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate
PubChem CID71516297
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Namemethyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C19H19ClN4O2/c1-26-19(25)16-4-2-3-11-23(16)18-15-9-10-21-12-17(15)24(22-18)14-7-5-13(20)6-8-14/h5-10,12,16H,2-4,11H2,1H3
InChIKeyZQBOZHVEHAAULJ-UHFFFAOYSA-N
XLogP3.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate (CID 71516297) is methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
The InChIKey is ZQBOZHVEHAAULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-26-19(25)16-4-2-3-11-23(16)18-15-9-10-21-12-17(15)24(22-18)14-7-5-13(20)6-8-14/h5-10,12,16H,2-4,11H2,1H3.
What are the key properties of methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate?
methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylate is sourced from PubChem (CID 71516297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).