2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one

C20H20N4O — CID 24749132

IUPAC2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one
SMILESCC(C)c1nn2ccccc2c1C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C20H20N4O/c1-14(2)20-19(17-10-6-7-13-23(17)22-20)16-11-12-18(25)24(21-16)15-8-4-3-5-9-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyLSNMTOPQBIRSLF-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.99
Rot. Bonds3

About 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one

2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one (PubChem CID 24749132) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one
PubChem CID24749132
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one
SMILESCC(C)c1nn2ccccc2c1C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C20H20N4O/c1-14(2)20-19(17-10-6-7-13-23(17)22-20)16-11-12-18(25)24(21-16)15-8-4-3-5-9-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyLSNMTOPQBIRSLF-UHFFFAOYSA-N
XLogP3.99
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one (CID 24749132) is 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one is CC(C)c1nn2ccccc2c1C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
The InChIKey is LSNMTOPQBIRSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14(2)20-19(17-10-6-7-13-23(17)22-20)16-11-12-18(25)24(21-16)15-8-4-3-5-9-15/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one has a molecular weight of 332.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 24749132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).