2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid

C19H20N4O2 — CID 110091183

IUPAC2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H20N4O2/c24-19(25)16-4-2-1-3-15(16)13-22-11-7-14(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,14H,7-8,11-13H2,(H,24,25)
InChIKeyVXIUPUPTZDAMML-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.81
Rot. Bonds4

About 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid

2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 110091183) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
PubChem CID110091183
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1CN1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C19H20N4O2/c24-19(25)16-4-2-1-3-15(16)13-22-11-7-14(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,14H,7-8,11-13H2,(H,24,25)
InChIKeyVXIUPUPTZDAMML-UHFFFAOYSA-N
XLogP2.81
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid (CID 110091183) is 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid is O=C(O)c1ccccc1CN1CCC(c2ccnc3ccnn23)CC1.
What is the InChIKey of 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
The InChIKey is VXIUPUPTZDAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)16-4-2-1-3-15(16)13-22-11-7-14(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,14H,7-8,11-13H2,(H,24,25).
What are the key properties of 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 336.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 110091183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).