2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide

C24H23N5O3 — CID 30607657

IUPAC2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4C)c3c2=O)c1
InChIInChI=1S/C24H23N5O3/c1-15-6-3-4-9-20(15)29-23-19(13-25-29)22(16-10-11-16)27-28(24(23)31)14-21(30)26-17-7-5-8-18(12-17)32-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,26,30)
InChIKeyKWSKQAVREAYRLQ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.42
Rot. Bonds6

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

2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 30607657) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID30607657
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4C)c3c2=O)c1
InChIInChI=1S/C24H23N5O3/c1-15-6-3-4-9-20(15)29-23-19(13-25-29)22(16-10-11-16)27-28(24(23)31)14-21(30)26-17-7-5-8-18(12-17)32-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,26,30)
InChIKeyKWSKQAVREAYRLQ-UHFFFAOYSA-N
XLogP3.42
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide (CID 30607657) is 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4C)c3c2=O)c1.
What is the InChIKey of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is KWSKQAVREAYRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15-6-3-4-9-20(15)29-23-19(13-25-29)22(16-10-11-16)27-28(24(23)31)14-21(30)26-17-7-5-8-18(12-17)32-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 30607657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).