2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid

C24H20N4O3 — CID 15522348

IUPAC2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid
SMILESO=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCC1
InChIInChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31)
InChIKeyUEVQEKTWOVYWOF-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.09
Rot. Bonds5

About 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid

2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid (PubChem CID 15522348) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid
PubChem CID15522348
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid
SMILESO=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCC1
InChIInChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31)
InChIKeyUEVQEKTWOVYWOF-UHFFFAOYSA-N
XLogP4.09
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid?
The IUPAC name of 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid (CID 15522348) is 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid?
The canonical SMILES for 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid is O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCC1.
What is the InChIKey of 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid?
The InChIKey is UEVQEKTWOVYWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-21-13-12-18(25-28(21)19-11-6-9-17(19)15-22(30)31)23-20-10-4-5-14-27(20)26-24(23)16-7-2-1-3-8-16/h1-5,7-8,10,12-14H,6,9,11,15H2,(H,30,31).
What are the key properties of 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid?
2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid has a molecular weight of 412.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclopenten-1-yl]acetic acid is sourced from PubChem (CID 15522348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).