4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C20H24N4O3 — CID 4906449

IUPAC4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCOCC4)cc(C)nc23)cc1OC
InChIInChI=1S/C20H24N4O3/c1-13-11-18(23-7-9-27-10-8-23)24-20(21-13)19(14(2)22-24)15-5-6-16(25-3)17(12-15)26-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeySMJUNVUWZNCIRM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.87
Rot. Bonds4

About 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 4906449) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID4906449
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCOCC4)cc(C)nc23)cc1OC
InChIInChI=1S/C20H24N4O3/c1-13-11-18(23-7-9-27-10-8-23)24-20(21-13)19(14(2)22-24)15-5-6-16(25-3)17(12-15)26-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeySMJUNVUWZNCIRM-UHFFFAOYSA-N
XLogP2.87
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 4906449) is 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is COc1ccc(-c2c(C)nn3c(N4CCOCC4)cc(C)nc23)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is SMJUNVUWZNCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-11-18(23-7-9-27-10-8-23)24-20(21-13)19(14(2)22-24)15-5-6-16(25-3)17(12-15)26-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 368.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 4906449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).