7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

C19H23FN6O — CID 155798933

IUPAC7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(COc3nc(C)nc(C)c3F)CC2)n2nccc2n1
InChIInChI=1S/C19H23FN6O/c1-12-10-17(26-16(22-12)4-7-21-26)25-8-5-15(6-9-25)11-27-19-18(20)13(2)23-14(3)24-19/h4,7,10,15H,5-6,8-9,11H2,1-3H3
InChIKeyDZYRKWGAADQWHV-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.88
Rot. Bonds4

About 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 155798933) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID155798933
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(COc3nc(C)nc(C)c3F)CC2)n2nccc2n1
InChIInChI=1S/C19H23FN6O/c1-12-10-17(26-16(22-12)4-7-21-26)25-8-5-15(6-9-25)11-27-19-18(20)13(2)23-14(3)24-19/h4,7,10,15H,5-6,8-9,11H2,1-3H3
InChIKeyDZYRKWGAADQWHV-UHFFFAOYSA-N
XLogP2.88
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 155798933) is 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(COc3nc(C)nc(C)c3F)CC2)n2nccc2n1.
What is the InChIKey of 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DZYRKWGAADQWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-12-10-17(26-16(22-12)4-7-21-26)25-8-5-15(6-9-25)11-27-19-18(20)13(2)23-14(3)24-19/h4,7,10,15H,5-6,8-9,11H2,1-3H3.
What are the key properties of 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 370.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155798933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).