4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide

C24H24ClN5O3 — CID 118582754

IUPAC4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)CCCn2nc(C)c3cn(-c4ccc(Cl)cc4)nc3c2=O)c1
InChIInChI=1S/C24H24ClN5O3/c1-16-21-15-30(19-10-8-18(25)9-11-19)28-23(21)24(32)29(27-16)12-4-7-22(31)26-14-17-5-3-6-20(13-17)33-2/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,26,31)
InChIKeyBYZIHNSQZWHFFT-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.65
Rot. Bonds8

About 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide

4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 118582754) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID118582754
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)CCCn2nc(C)c3cn(-c4ccc(Cl)cc4)nc3c2=O)c1
InChIInChI=1S/C24H24ClN5O3/c1-16-21-15-30(19-10-8-18(25)9-11-19)28-23(21)24(32)29(27-16)12-4-7-22(31)26-14-17-5-3-6-20(13-17)33-2/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,26,31)
InChIKeyBYZIHNSQZWHFFT-UHFFFAOYSA-N
XLogP3.65
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 118582687
4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide
CID 118576500
4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide
CID 118576511
N-[(4-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885276
N-[(4-chlorophenyl)methyl]-4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]butanamide
CID 20919907
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanamide
CID 71686549
N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9042472
N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928946
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 46350148
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide (CID 118582754) is 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide is COc1cccc(CNC(=O)CCCn2nc(C)c3cn(-c4ccc(Cl)cc4)nc3c2=O)c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is BYZIHNSQZWHFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-16-21-15-30(19-10-8-18(25)9-11-19)28-23(21)24(32)29(27-16)12-4-7-22(31)26-14-17-5-3-6-20(13-17)33-2/h3,5-6,8-11,13,15H,4,7,12,14H2,1-2H3,(H,26,31).
What are the key properties of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide has a molecular weight of 465.94 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 118582754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).