6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one

C22H20N6O — CID 69331882

IUPAC6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2nc(-c3ccncc3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C22H20N6O/c1-14(2)28-18(29)9-8-17(27-28)21-19(15-6-4-3-5-7-15)26-22(23)20(25-21)16-10-12-24-13-11-16/h3-14H,1-2H3,(H2,23,26)
InChIKeyPTYQTOBGMPIMCM-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.59
Rot. Bonds4

About 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one

6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one (PubChem CID 69331882) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
PubChem CID69331882
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2nc(-c3ccncc3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C22H20N6O/c1-14(2)28-18(29)9-8-17(27-28)21-19(15-6-4-3-5-7-15)26-22(23)20(25-21)16-10-12-24-13-11-16/h3-14H,1-2H3,(H2,23,26)
InChIKeyPTYQTOBGMPIMCM-UHFFFAOYSA-N
XLogP3.59
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one (CID 69331882) is 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(-c2nc(-c3ccncc3)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one?
The InChIKey is PTYQTOBGMPIMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-14(2)28-18(29)9-8-17(27-28)21-19(15-6-4-3-5-7-15)26-22(23)20(25-21)16-10-12-24-13-11-16/h3-14H,1-2H3,(H2,23,26).
What are the key properties of 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one?
6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one has a molecular weight of 384.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-phenyl-6-pyridin-4-ylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 69331882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).