4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine

C19H22FN5O2 — CID 56909060

IUPAC4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(N2CCCC(Oc3ccc(F)cc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C19H22FN5O2/c1-24-18-16(10-21-24)19(23-17(22-18)12-26-2)25-9-3-4-15(11-25)27-14-7-5-13(20)6-8-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3
InChIKeyVVXDMVIOGRHVJV-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.70
Rot. Bonds5

About 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine

4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 56909060) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID56909060
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(N2CCCC(Oc3ccc(F)cc3)C2)c2cnn(C)c2n1
InChIInChI=1S/C19H22FN5O2/c1-24-18-16(10-21-24)19(23-17(22-18)12-26-2)25-9-3-4-15(11-25)27-14-7-5-13(20)6-8-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3
InChIKeyVVXDMVIOGRHVJV-UHFFFAOYSA-N
XLogP2.70
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine (CID 56909060) is 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine is COCc1nc(N2CCCC(Oc3ccc(F)cc3)C2)c2cnn(C)c2n1.
What is the InChIKey of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is VVXDMVIOGRHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-24-18-16(10-21-24)19(23-17(22-18)12-26-2)25-9-3-4-15(11-25)27-14-7-5-13(20)6-8-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3.
What are the key properties of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine?
4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 371.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56909060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).