1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine

C23H28N8O3S — CID 91608065

IUPAC1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine
SMILESCc1nc2ncnc(NNC(C)c3cc4ccccc4c(OC4CCN(S(C)(=O)=O)CC4)n3)c2[nH]1
InChIInChI=1S/C23H28N8O3S/c1-14(29-30-22-20-21(24-13-25-22)27-15(2)26-20)19-12-16-6-4-5-7-18(16)23(28-19)34-17-8-10-31(11-9-17)35(3,32)33/h4-7,12-14,17,29H,8-11H2,1-3H3,(H2,24,25,26,27,30)
InChIKeyJACCNTDLUGPCPX-UHFFFAOYSA-N
MW496.60 g/mol
LogP2.69
Rot. Bonds7

About 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine

1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine (PubChem CID 91608065) has the molecular formula C23H28N8O3S and a molecular weight of 496.60 g/mol. Its IUPAC name is 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine.

Molecular Properties

Compound Name1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine
PubChem CID91608065
Molecular FormulaC23H28N8O3S
Molecular Weight496.60 g/mol
Exact Mass496.20
IUPAC Name1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine
SMILESCc1nc2ncnc(NNC(C)c3cc4ccccc4c(OC4CCN(S(C)(=O)=O)CC4)n3)c2[nH]1
InChIInChI=1S/C23H28N8O3S/c1-14(29-30-22-20-21(24-13-25-22)27-15(2)26-20)19-12-16-6-4-5-7-18(16)23(28-19)34-17-8-10-31(11-9-17)35(3,32)33/h4-7,12-14,17,29H,8-11H2,1-3H3,(H2,24,25,26,27,30)
InChIKeyJACCNTDLUGPCPX-UHFFFAOYSA-N
XLogP2.69
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine 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

N-[(1S)-1-[8-chloro-1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-2-fluoro-7H-purin-6-amine
CID 70829286
3-fluoro-N-[(1S)-1-[8-methyl-1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]quinolin-4-amine
CID 71142666
N-[(1S)-1-[5-methyl-4-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-2-yl]ethyl]quinazolin-4-amine
CID 71142632
4-N-[1-[1-(1-ethylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-5-hydrazinylpyrimidine-4,6-diamine
CID 138600719
N-[1-[8-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[1-[8-methyl-1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[1-[8-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 162263088
N-[(1S)-1-[8-chloro-1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]imidazo[1,2-b]pyridazin-8-amine
CID 69097727
4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 46701353
4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 90245774
4-[[(1S)-1-[5-methyl-4-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-2-yl]ethyl]amino]quinoline-3-carbonitrile
CID 71142677
N-[1-(1,3-benzodioxol-5-yl)ethyl]-8-methyl-7H-purin-6-amine
CID 71689208
N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
CID 69228289
2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
CID 160565396

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine?
The IUPAC name of 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine (CID 91608065) is 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine.
What is the SMILES notation for 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine?
The canonical SMILES for 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine is Cc1nc2ncnc(NNC(C)c3cc4ccccc4c(OC4CCN(S(C)(=O)=O)CC4)n3)c2[nH]1.
What is the InChIKey of 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine?
The InChIKey is JACCNTDLUGPCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3S/c1-14(29-30-22-20-21(24-13-25-22)27-15(2)26-20)19-12-16-6-4-5-7-18(16)23(28-19)34-17-8-10-31(11-9-17)35(3,32)33/h4-7,12-14,17,29H,8-11H2,1-3H3,(H2,24,25,26,27,30).
What are the key properties of 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine?
1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine has a molecular weight of 496.60 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-7H-purin-6-yl)-2-[1-[1-(1-methylsulfonylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]hydrazine is sourced from PubChem (CID 91608065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).