2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide

C21H25N5O2 — CID 30607744

IUPAC2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(C)c(C)c3)c2c1=O
InChIInChI=1S/C21H25N5O2/c1-4-9-22-18(27)12-25-21(28)20-17(19(24-25)15-6-7-15)11-23-26(20)16-8-5-13(2)14(3)10-16/h5,8,10-11,15H,4,6-7,9,12H2,1-3H3,(H,22,27)
InChIKeyISQFDALTUFJCCY-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.60
Rot. Bonds6

About 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide

2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide (PubChem CID 30607744) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
PubChem CID30607744
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(C)c(C)c3)c2c1=O
InChIInChI=1S/C21H25N5O2/c1-4-9-22-18(27)12-25-21(28)20-17(19(24-25)15-6-7-15)11-23-26(20)16-8-5-13(2)14(3)10-16/h5,8,10-11,15H,4,6-7,9,12H2,1-3H3,(H,22,27)
InChIKeyISQFDALTUFJCCY-UHFFFAOYSA-N
XLogP2.60
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
The IUPAC name of 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide (CID 30607744) is 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide is CCCNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(C)c(C)c3)c2c1=O.
What is the InChIKey of 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
The InChIKey is ISQFDALTUFJCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-9-22-18(27)12-25-21(28)20-17(19(24-25)15-6-7-15)11-23-26(20)16-8-5-13(2)14(3)10-16/h5,8,10-11,15H,4,6-7,9,12H2,1-3H3,(H,22,27).
What are the key properties of 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide has a molecular weight of 379.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide is sourced from PubChem (CID 30607744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).