2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid

C23H22N4O2 — CID 19975810

IUPAC2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid
SMILESCCc1cc(Nc2ccc(C(Cc3ccccc3)C(=O)O)cc2)n2nccc2n1
InChIInChI=1S/C23H22N4O2/c1-2-18-15-22(27-21(25-18)12-13-24-27)26-19-10-8-17(9-11-19)20(23(28)29)14-16-6-4-3-5-7-16/h3-13,15,20,26H,2,14H2,1H3,(H,28,29)
InChIKeyLARBRTJBSQTUDL-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.45
Rot. Bonds7

About 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid

2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid (PubChem CID 19975810) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid
PubChem CID19975810
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid
SMILESCCc1cc(Nc2ccc(C(Cc3ccccc3)C(=O)O)cc2)n2nccc2n1
InChIInChI=1S/C23H22N4O2/c1-2-18-15-22(27-21(25-18)12-13-24-27)26-19-10-8-17(9-11-19)20(23(28)29)14-16-6-4-3-5-7-16/h3-13,15,20,26H,2,14H2,1H3,(H,28,29)
InChIKeyLARBRTJBSQTUDL-UHFFFAOYSA-N
XLogP4.45
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid?
The IUPAC name of 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid (CID 19975810) is 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid is CCc1cc(Nc2ccc(C(Cc3ccccc3)C(=O)O)cc2)n2nccc2n1.
What is the InChIKey of 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid?
The InChIKey is LARBRTJBSQTUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-18-15-22(27-21(25-18)12-13-24-27)26-19-10-8-17(9-11-19)20(23(28)29)14-16-6-4-3-5-7-16/h3-13,15,20,26H,2,14H2,1H3,(H,28,29).
What are the key properties of 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid?
2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid has a molecular weight of 386.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-3-phenylpropanoic acid is sourced from PubChem (CID 19975810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).