2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide

C24H31N5O2 — CID 30607724

IUPAC2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)N(C(C)C)C(C)C)c(=O)c32)c(C)c1
InChIInChI=1S/C24H31N5O2/c1-14(2)28(15(3)4)21(30)13-27-24(31)23-19(22(26-27)18-8-9-18)12-25-29(23)20-10-7-16(5)11-17(20)6/h7,10-12,14-15,18H,8-9,13H2,1-6H3
InChIKeyRQZHCEOZKWGFAQ-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.72
Rot. Bonds6

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

2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 30607724) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID30607724
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)N(C(C)C)C(C)C)c(=O)c32)c(C)c1
InChIInChI=1S/C24H31N5O2/c1-14(2)28(15(3)4)21(30)13-27-24(31)23-19(22(26-27)18-8-9-18)12-25-29(23)20-10-7-16(5)11-17(20)6/h7,10-12,14-15,18H,8-9,13H2,1-6H3
InChIKeyRQZHCEOZKWGFAQ-UHFFFAOYSA-N
XLogP3.72
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide (CID 30607724) is 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide is Cc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)N(C(C)C)C(C)C)c(=O)c32)c(C)c1.
What is the InChIKey of 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is RQZHCEOZKWGFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-14(2)28(15(3)4)21(30)13-27-24(31)23-19(22(26-27)18-8-9-18)12-25-29(23)20-10-7-16(5)11-17(20)6/h7,10-12,14-15,18H,8-9,13H2,1-6H3.
What are the key properties of 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 421.55 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 30607724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).