4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide

C24H25N5O2 — CID 118576500

IUPAC4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide
SMILESCc1nn(CCCC(=O)NCCc2ccccc2)c(=O)c2nn(-c3ccccc3)cc12
InChIInChI=1S/C24H25N5O2/c1-18-21-17-29(20-11-6-3-7-12-20)27-23(21)24(31)28(26-18)16-8-13-22(30)25-15-14-19-9-4-2-5-10-19/h2-7,9-12,17H,8,13-16H2,1H3,(H,25,30)
InChIKeyHELZTALPVQGTRM-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.03
Rot. Bonds8

About 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide

4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide (PubChem CID 118576500) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide
PubChem CID118576500
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide
SMILESCc1nn(CCCC(=O)NCCc2ccccc2)c(=O)c2nn(-c3ccccc3)cc12
InChIInChI=1S/C24H25N5O2/c1-18-21-17-29(20-11-6-3-7-12-20)27-23(21)24(31)28(26-18)16-8-13-22(30)25-15-14-19-9-4-2-5-10-19/h2-7,9-12,17H,8,13-16H2,1H3,(H,25,30)
InChIKeyHELZTALPVQGTRM-UHFFFAOYSA-N
XLogP3.03
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 118582754
4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 118582687
3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide
CID 46279408
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
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 20919945
4-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylethyl)butanamide
CID 6620337
4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 50784367
4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)butanamide
CID 20919794
N-[2-(2-chlorophenyl)ethyl]-3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 24789957
4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46328024
N-[(2-chlorophenyl)methyl]-4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)butanamide
CID 50784322
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide (CID 118576500) is 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide is Cc1nn(CCCC(=O)NCCc2ccccc2)c(=O)c2nn(-c3ccccc3)cc12.
What is the InChIKey of 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is HELZTALPVQGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-18-21-17-29(20-11-6-3-7-12-20)27-23(21)24(31)28(26-18)16-8-13-22(30)25-15-14-19-9-4-2-5-10-19/h2-7,9-12,17H,8,13-16H2,1H3,(H,25,30).
What are the key properties of 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide?
4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 415.50 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 118576500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).