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

C19H20N4O2 — CID 110091162

IUPAC4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCC(c3ccnc4ccnn34)CC2)cc1
InChIInChI=1S/C19H20N4O2/c24-19(25)16-3-1-14(2-4-16)13-22-11-7-15(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,24,25)
InChIKeyMKPZARXGHUXCOX-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.81
Rot. Bonds4

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

4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 110091162) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
PubChem CID110091162
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CN2CCC(c3ccnc4ccnn34)CC2)cc1
InChIInChI=1S/C19H20N4O2/c24-19(25)16-3-1-14(2-4-16)13-22-11-7-15(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,24,25)
InChIKeyMKPZARXGHUXCOX-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 ≤ 500336.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid (CID 110091162) is 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid is O=C(O)c1ccc(CN2CCC(c3ccnc4ccnn34)CC2)cc1.
What is the InChIKey of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
The InChIKey is MKPZARXGHUXCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)16-3-1-14(2-4-16)13-22-11-7-15(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,24,25).
What are the key properties of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?
4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 336.40 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 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 110091162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).