1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C14H16F2N4O — CID 160985489

IUPAC1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3C[C@H](C)CC(F)(F)C3)nc12
InChIInChI=1S/C14H16F2N4O/c1-9-5-14(15,16)8-19(7-9)12-3-4-20-13(18-12)11(6-17-20)10(2)21/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m1/s1
InChIKeyYCYLACUDDMXYEX-SECBINFHSA-N
MW294.31 g/mol
LogP2.41
Rot. Bonds2

About 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 160985489) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID160985489
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3C[C@H](C)CC(F)(F)C3)nc12
InChIInChI=1S/C14H16F2N4O/c1-9-5-14(15,16)8-19(7-9)12-3-4-20-13(18-12)11(6-17-20)10(2)21/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m1/s1
InChIKeyYCYLACUDDMXYEX-SECBINFHSA-N
XLogP2.41
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 160985489) is 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CC(=O)c1cnn2ccc(N3C[C@H](C)CC(F)(F)C3)nc12.
What is the InChIKey of 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is YCYLACUDDMXYEX-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-9-5-14(15,16)8-19(7-9)12-3-4-20-13(18-12)11(6-17-20)10(2)21/h3-4,6,9H,5,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 294.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5R)-3,3-difluoro-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 160985489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).