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

C18H17ClN4O3 — CID 71516232

IUPACmethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C18H17ClN4O3/c1-25-18(24)16-11-26-9-8-22(16)17-14-6-7-20-10-15(14)23(21-17)13-4-2-12(19)3-5-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyQMFMJWRMNUPWJK-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.45
Rot. Bonds3

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

methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate (PubChem CID 71516232) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate
PubChem CID71516232
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Namemethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C18H17ClN4O3/c1-25-18(24)16-11-26-9-8-22(16)17-14-6-7-20-10-15(14)23(21-17)13-4-2-12(19)3-5-13/h2-7,10,16H,8-9,11H2,1H3
InChIKeyQMFMJWRMNUPWJK-UHFFFAOYSA-N
XLogP2.45
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate (CID 71516232) is methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate is COC(=O)C1COCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate?
The InChIKey is QMFMJWRMNUPWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-25-18(24)16-11-26-9-8-22(16)17-14-6-7-20-10-15(14)23(21-17)13-4-2-12(19)3-5-13/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate?
methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine-3-carboxylate is sourced from PubChem (CID 71516232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).