7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C20H25FN6O — CID 155942129

IUPAC7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3cc(C)nc4cc(C)nn34)CC2)c1F
InChIInChI=1S/C20H25FN6O/c1-4-16-19(21)20(23-12-22-16)28-11-15-5-7-26(8-6-15)18-10-13(2)24-17-9-14(3)25-27(17)18/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeyPGINQLMXIJBYPB-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.13
Rot. Bonds5

About 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 155942129) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID155942129
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3cc(C)nc4cc(C)nn34)CC2)c1F
InChIInChI=1S/C20H25FN6O/c1-4-16-19(21)20(23-12-22-16)28-11-15-5-7-26(8-6-15)18-10-13(2)24-17-9-14(3)25-27(17)18/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeyPGINQLMXIJBYPB-UHFFFAOYSA-N
XLogP3.13
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 155942129) is 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is CCc1ncnc(OCC2CCN(c3cc(C)nc4cc(C)nn34)CC2)c1F.
What is the InChIKey of 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PGINQLMXIJBYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-4-16-19(21)20(23-12-22-16)28-11-15-5-7-26(8-6-15)18-10-13(2)24-17-9-14(3)25-27(17)18/h9-10,12,15H,4-8,11H2,1-3H3.
What are the key properties of 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 384.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155942129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).