2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid

C23H17N5O2 — CID 66738932

IUPAC2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid
SMILESNc1cc(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C23H17N5O2/c24-21-11-20(15-7-5-14(6-8-15)9-22(29)30)27-23-18(13-26-28(21)23)17-10-16-3-1-2-4-19(16)25-12-17/h1-8,10-13H,9,24H2,(H,29,30)
InChIKeySHANKVASUHRHEF-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.82
Rot. Bonds4

About 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid

2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid (PubChem CID 66738932) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid
PubChem CID66738932
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid
SMILESNc1cc(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C23H17N5O2/c24-21-11-20(15-7-5-14(6-8-15)9-22(29)30)27-23-18(13-26-28(21)23)17-10-16-3-1-2-4-19(16)25-12-17/h1-8,10-13H,9,24H2,(H,29,30)
InChIKeySHANKVASUHRHEF-UHFFFAOYSA-N
XLogP3.82
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid (CID 66738932) is 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid is Nc1cc(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid?
The InChIKey is SHANKVASUHRHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c24-21-11-20(15-7-5-14(6-8-15)9-22(29)30)27-23-18(13-26-28(21)23)17-10-16-3-1-2-4-19(16)25-12-17/h1-8,10-13H,9,24H2,(H,29,30).
What are the key properties of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid?
2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid has a molecular weight of 395.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid is sourced from PubChem (CID 66738932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).