4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid

C17H15ClN4O3 — CID 89440941

IUPAC4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C17H15ClN4O3/c18-11-1-3-12(4-2-11)22-14-9-19-6-5-13(14)16(20-22)21-7-8-25-10-15(21)17(23)24/h1-6,9,15H,7-8,10H2,(H,23,24)
InChIKeyCFRTYEIPUSBPKX-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.36
Rot. Bonds3

About 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid

4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid (PubChem CID 89440941) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
PubChem CID89440941
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C17H15ClN4O3/c18-11-1-3-12(4-2-11)22-14-9-19-6-5-13(14)16(20-22)21-7-8-25-10-15(21)17(23)24/h1-6,9,15H,7-8,10H2,(H,23,24)
InChIKeyCFRTYEIPUSBPKX-UHFFFAOYSA-N
XLogP2.36
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid (CID 89440941) is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid?
The InChIKey is CFRTYEIPUSBPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-11-1-3-12(4-2-11)22-14-9-19-6-5-13(14)16(20-22)21-7-8-25-10-15(21)17(23)24/h1-6,9,15H,7-8,10H2,(H,23,24).
What are the key properties of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid?
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid has a molecular weight of 358.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylic acid is sourced from PubChem (CID 89440941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).