2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

C21H16N6O — CID 10981452

IUPAC2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1ncc[nH]1
InChIInChI=1S/C21H16N6O/c28-19-10-9-16(24-27(19)14-18-22-11-12-23-18)20-17-8-4-5-13-26(17)25-21(20)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyQMKYISSNHXKQRF-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.00
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 10981452) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
PubChem CID10981452
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1ncc[nH]1
InChIInChI=1S/C21H16N6O/c28-19-10-9-16(24-27(19)14-18-22-11-12-23-18)20-17-8-4-5-13-26(17)25-21(20)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyQMKYISSNHXKQRF-UHFFFAOYSA-N
XLogP3.00
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The IUPAC name of 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 10981452) is 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The canonical SMILES for 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1Cc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
The InChIKey is QMKYISSNHXKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c28-19-10-9-16(24-27(19)14-18-22-11-12-23-18)20-17-8-4-5-13-26(17)25-21(20)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23).
What are the key properties of 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?
2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 368.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 10981452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).