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

C20H16N4O3 — CID 10784740

IUPAC3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C20H16N4O3/c25-17-10-9-15(21-24(17)13-11-18(26)27)19-16-8-4-5-12-23(16)22-20(19)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,26,27)
InChIKeyMQIUPPGRSIDEQN-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.70
Rot. Bonds5

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

3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid (PubChem CID 10784740) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid
PubChem CID10784740
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid
SMILESO=C(O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C20H16N4O3/c25-17-10-9-15(21-24(17)13-11-18(26)27)19-16-8-4-5-12-23(16)22-20(19)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,26,27)
InChIKeyMQIUPPGRSIDEQN-UHFFFAOYSA-N
XLogP2.70
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid?
The IUPAC name of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid (CID 10784740) is 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid?
The canonical SMILES for 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid is O=C(O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.
What is the InChIKey of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid?
The InChIKey is MQIUPPGRSIDEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-17-10-9-15(21-24(17)13-11-18(26)27)19-16-8-4-5-12-23(16)22-20(19)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,26,27).
What are the key properties of 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid?
3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid has a molecular weight of 360.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]propanoic acid is sourced from PubChem (CID 10784740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).