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

C18H21FN6O — CID 155980582

IUPAC5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3ccn4nccc4n3)CC2)c1F
InChIInChI=1S/C18H21FN6O/c1-2-14-17(19)18(21-12-20-14)26-11-13-4-8-24(9-5-13)15-6-10-25-16(23-15)3-7-22-25/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3
InChIKeyJSDVXBQJBKBCEY-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.52
Rot. Bonds5

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

5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155980582) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID155980582
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3ccn4nccc4n3)CC2)c1F
InChIInChI=1S/C18H21FN6O/c1-2-14-17(19)18(21-12-20-14)26-11-13-4-8-24(9-5-13)15-6-10-25-16(23-15)3-7-22-25/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3
InChIKeyJSDVXBQJBKBCEY-UHFFFAOYSA-N
XLogP2.52
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 155980582) is 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is CCc1ncnc(OCC2CCN(c3ccn4nccc4n3)CC2)c1F.
What is the InChIKey of 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is JSDVXBQJBKBCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-2-14-17(19)18(21-12-20-14)26-11-13-4-8-24(9-5-13)15-6-10-25-16(23-15)3-7-22-25/h3,6-7,10,12-13H,2,4-5,8-9,11H2,1H3.
What are the key properties of 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 356.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155980582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).