4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

C20H25N5O2 — CID 129010130

IUPAC4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(OC2CN(c3ncnc4c3c(CC(C)C)nn4C)C2)cc1
InChIInChI=1S/C20H25N5O2/c1-13(2)9-17-18-19(24(3)23-17)21-12-22-20(18)25-10-16(11-25)27-15-7-5-14(26-4)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyDGEVGQKNMPFAGC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.84
Rot. Bonds6

About 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 129010130) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
PubChem CID129010130
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(OC2CN(c3ncnc4c3c(CC(C)C)nn4C)C2)cc1
InChIInChI=1S/C20H25N5O2/c1-13(2)9-17-18-19(24(3)23-17)21-12-22-20(18)25-10-16(11-25)27-15-7-5-14(26-4)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyDGEVGQKNMPFAGC-UHFFFAOYSA-N
XLogP2.84
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (CID 129010130) is 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is COc1ccc(OC2CN(c3ncnc4c3c(CC(C)C)nn4C)C2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is DGEVGQKNMPFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)9-17-18-19(24(3)23-17)21-12-22-20(18)25-10-16(11-25)27-15-7-5-14(26-4)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 367.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 129010130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).