6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one

C22H20N8O — CID 19009026

IUPAC6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CCCCc1nn[nH]n1
InChIInChI=1S/C22H20N8O/c31-20-13-12-17(25-30(20)15-7-5-11-19-23-27-28-24-19)21-18-10-4-6-14-29(18)26-22(21)16-8-2-1-3-9-16/h1-4,6,8-10,12-14H,5,7,11,15H2,(H,23,24,27,28)
InChIKeyVUUKOYNUOVNRMJ-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.76
Rot. Bonds7

About 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one

6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one (PubChem CID 19009026) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one
PubChem CID19009026
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CCCCc1nn[nH]n1
InChIInChI=1S/C22H20N8O/c31-20-13-12-17(25-30(20)15-7-5-11-19-23-27-28-24-19)21-18-10-4-6-14-29(18)26-22(21)16-8-2-1-3-9-16/h1-4,6,8-10,12-14H,5,7,11,15H2,(H,23,24,27,28)
InChIKeyVUUKOYNUOVNRMJ-UHFFFAOYSA-N
XLogP2.76
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one?
The IUPAC name of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one (CID 19009026) is 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one?
The canonical SMILES for 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one is O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CCCCc1nn[nH]n1.
What is the InChIKey of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one?
The InChIKey is VUUKOYNUOVNRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c31-20-13-12-17(25-30(20)15-7-5-11-19-23-27-28-24-19)21-18-10-4-6-14-29(18)26-22(21)16-8-2-1-3-9-16/h1-4,6,8-10,12-14H,5,7,11,15H2,(H,23,24,27,28).
What are the key properties of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one?
6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one has a molecular weight of 412.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-[4-(2H-tetrazol-5-yl)butyl]pyridazin-3-one is sourced from PubChem (CID 19009026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).