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

C21H22N4O — CID 24751988

IUPAC2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one
SMILESCC(C)c1nn2ccccc2c1C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C21H22N4O/c1-15(2)21-20(18-10-6-7-13-24(18)23-21)17-11-12-19(26)25(22-17)14-16-8-4-3-5-9-16/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyDRLAPHCVJIIJPV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds4

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

2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one (PubChem CID 24751988) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one
PubChem CID24751988
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one
SMILESCC(C)c1nn2ccccc2c1C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C21H22N4O/c1-15(2)21-20(18-10-6-7-13-24(18)23-21)17-11-12-19(26)25(22-17)14-16-8-4-3-5-9-16/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyDRLAPHCVJIIJPV-UHFFFAOYSA-N
XLogP3.98
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one (CID 24751988) is 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one is CC(C)c1nn2ccccc2c1C1=NN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
The InChIKey is DRLAPHCVJIIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)21-20(18-10-6-7-13-24(18)23-21)17-11-12-19(26)25(22-17)14-16-8-4-3-5-9-16/h3-10,13,15H,11-12,14H2,1-2H3.
What are the key properties of 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one?
2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one has a molecular weight of 346.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 24751988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).