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

C16H19FN4O2 — CID 110216140

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)C3CC3)[nH]n2c(=O)c1F
InChIInChI=1S/C16H19FN4O2/c1-9-14(17)16(23)21-13(18-9)8-11(19-21)12-4-2-3-7-20(12)15(22)10-5-6-10/h8,10,12,19H,2-7H2,1H3
InChIKeySDJIHDPANLJMTI-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.93
Rot. Bonds2

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

2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216140) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216140
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)C3CC3)[nH]n2c(=O)c1F
InChIInChI=1S/C16H19FN4O2/c1-9-14(17)16(23)21-13(18-9)8-11(19-21)12-4-2-3-7-20(12)15(22)10-5-6-10/h8,10,12,19H,2-7H2,1H3
InChIKeySDJIHDPANLJMTI-UHFFFAOYSA-N
XLogP1.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216140) is 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCCN3C(=O)C3CC3)[nH]n2c(=O)c1F.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SDJIHDPANLJMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-9-14(17)16(23)21-13(18-9)8-11(19-21)12-4-2-3-7-20(12)15(22)10-5-6-10/h8,10,12,19H,2-7H2,1H3.
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).