5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one

C24H21N7O — CID 139459073

IUPAC5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one
SMILESCc1nn(C(C)c2cnn(-c3ccccc3)c(=O)c2-c2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C24H21N7O/c1-15-20-22(25)26-14-27-23(20)30(29-15)16(2)19-13-28-31(18-11-7-4-8-12-18)24(32)21(19)17-9-5-3-6-10-17/h3-14,16H,1-2H3,(H2,25,26,27)
InChIKeyAYSFGVXBITWQPW-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.54
Rot. Bonds4

About 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one

5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one (PubChem CID 139459073) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one.

Molecular Properties

Compound Name5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one
PubChem CID139459073
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one
SMILESCc1nn(C(C)c2cnn(-c3ccccc3)c(=O)c2-c2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C24H21N7O/c1-15-20-22(25)26-14-27-23(20)30(29-15)16(2)19-13-28-31(18-11-7-4-8-12-18)24(32)21(19)17-9-5-3-6-10-17/h3-14,16H,1-2H3,(H2,25,26,27)
InChIKeyAYSFGVXBITWQPW-UHFFFAOYSA-N
XLogP3.54
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,6-diphenylpyridazin-3-one
CID 118938050
7-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 167431856
3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-methylisochromen-1-one
CID 144865817
2-[1-[4-amino-3-(6-oxo-1H-pyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-7-fluoro-3-phenylquinolizin-4-one
CID 136959659
N-[5-[4-amino-1-[(1S)-1-(3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-(trideuteriomethoxy)-3-pyridinyl]methanesulfonamide
CID 168788170
2-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)-N-(iodomethyl)propanamide
CID 59465117
N-[3-[4-amino-1-[1-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenyl]methanesulfonamide
CID 118627660
2-[4-[3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 89420945
5-[4-amino-1-[1-(1-oxo-4-phenylisochromen-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyrimidin-2-one
CID 136992613
1-[1-[5-chloro-2-ethoxy-4-methyl-3-(1H-pyrazol-4-yl)phenyl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 172687091
1-[1-[5-chloro-2-methoxy-4-methyl-3-(5-methylsulfonyl-3-pyridinyl)phenyl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 89420685
ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 144980078

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one?
The IUPAC name of 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one (CID 139459073) is 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one.
What is the SMILES notation for 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one?
The canonical SMILES for 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one is Cc1nn(C(C)c2cnn(-c3ccccc3)c(=O)c2-c2ccccc2)c2ncnc(N)c12.
What is the InChIKey of 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one?
The InChIKey is AYSFGVXBITWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-15-20-22(25)26-14-27-23(20)30(29-15)16(2)19-13-28-31(18-11-7-4-8-12-18)24(32)21(19)17-9-5-3-6-10-17/h3-14,16H,1-2H3,(H2,25,26,27).
What are the key properties of 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one?
5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one has a molecular weight of 423.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-diphenylpyridazin-3-one is sourced from PubChem (CID 139459073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).