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

C19H23FN6O — CID 155942111

IUPAC7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3cc(C)nc4ccnn34)CC2)c1F
InChIInChI=1S/C19H23FN6O/c1-3-15-18(20)19(22-12-21-15)27-11-14-5-8-25(9-6-14)17-10-13(2)24-16-4-7-23-26(16)17/h4,7,10,12,14H,3,5-6,8-9,11H2,1-2H3
InChIKeyWAUVBQCNCWQAMR-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.82
Rot. Bonds5

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

7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 155942111) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID155942111
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1ncnc(OCC2CCN(c3cc(C)nc4ccnn34)CC2)c1F
InChIInChI=1S/C19H23FN6O/c1-3-15-18(20)19(22-12-21-15)27-11-14-5-8-25(9-6-14)17-10-13(2)24-16-4-7-23-26(16)17/h4,7,10,12,14H,3,5-6,8-9,11H2,1-2H3
InChIKeyWAUVBQCNCWQAMR-UHFFFAOYSA-N
XLogP2.82
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.82
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]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 155942111) is 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is CCc1ncnc(OCC2CCN(c3cc(C)nc4ccnn34)CC2)c1F.
What is the InChIKey of 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WAUVBQCNCWQAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-3-15-18(20)19(22-12-21-15)27-11-14-5-8-25(9-6-14)17-10-13(2)24-16-4-7-23-26(16)17/h4,7,10,12,14H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of 7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 370.43 g/mol, XLogP of 2.82, 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]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155942111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).