6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H15FN4O — CID 58030123

IUPAC6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCCN3)[nH]n2c(=O)c1F
InChIInChI=1S/C12H15FN4O/c1-7-11(13)12(18)17-10(15-7)6-9(16-17)8-4-2-3-5-14-8/h6,8,14,16H,2-5H2,1H3/t8-/m0/s1
InChIKeyWICJUGRGCNMAEP-QMMMGPOBSA-N
MW250.28 g/mol
LogP1.28
Rot. Bonds1

About 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58030123) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58030123
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCCN3)[nH]n2c(=O)c1F
InChIInChI=1S/C12H15FN4O/c1-7-11(13)12(18)17-10(15-7)6-9(16-17)8-4-2-3-5-14-8/h6,8,14,16H,2-5H2,1H3/t8-/m0/s1
InChIKeyWICJUGRGCNMAEP-QMMMGPOBSA-N
XLogP1.28
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58030123) is 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc([C@@H]3CCCCN3)[nH]n2c(=O)c1F.
What is the InChIKey of 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WICJUGRGCNMAEP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7-11(13)12(18)17-10(15-7)6-9(16-17)8-4-2-3-5-14-8/h6,8,14,16H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 250.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58030123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).