4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

C17H18ClN5O — CID 2940041

IUPAC4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C17H18ClN5O/c1-11-8-22(9-12(2)24-11)16-15-7-21-23(17(15)20-10-19-16)14-5-3-13(18)4-6-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyGYCYUCTVJIWYAD-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.08
Rot. Bonds2

About 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine

4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 2940041) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID2940041
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C17H18ClN5O/c1-11-8-22(9-12(2)24-11)16-15-7-21-23(17(15)20-10-19-16)14-5-3-13(18)4-6-14/h3-7,10-12H,8-9H2,1-2H3
InChIKeyGYCYUCTVJIWYAD-UHFFFAOYSA-N
XLogP3.08
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine (CID 2940041) is 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is CC1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is GYCYUCTVJIWYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-8-22(9-12(2)24-11)16-15-7-21-23(17(15)20-10-19-16)14-5-3-13(18)4-6-14/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine?
4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 343.82 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2940041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).