2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C24H38ClN7O8 — CID 175886809

IUPAC2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOc1nn(CCOCCOCCOCCOCCOCCOCCO)cc1Nc1nc(Cl)nc2c1ncn2C
InChIInChI=1S/C24H38ClN7O8/c1-31-18-26-20-21(28-24(25)29-22(20)31)27-19-17-32(30-23(19)34-2)3-5-35-7-9-37-11-13-39-15-16-40-14-12-38-10-8-36-6-4-33/h17-18,33H,3-16H2,1-2H3,(H,27,28,29)
InChIKeyYXIKVCFACBFDGM-UHFFFAOYSA-N
MW588.06 g/mol
LogP1.06
Rot. Bonds23

About 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 175886809) has the molecular formula C24H38ClN7O8 and a molecular weight of 588.06 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID175886809
Molecular FormulaC24H38ClN7O8
Molecular Weight588.06 g/mol
Exact Mass587.25
IUPAC Name2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOc1nn(CCOCCOCCOCCOCCOCCOCCO)cc1Nc1nc(Cl)nc2c1ncn2C
InChIInChI=1S/C24H38ClN7O8/c1-31-18-26-20-21(28-24(25)29-22(20)31)27-19-17-32(30-23(19)34-2)3-5-35-7-9-37-11-13-39-15-16-40-14-12-38-10-8-36-6-4-33/h17-18,33H,3-16H2,1-2H3,(H,27,28,29)
InChIKeyYXIKVCFACBFDGM-UHFFFAOYSA-N
XLogP1.06
TPSA158.29 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.06
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 175886809) is 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is COc1nn(CCOCCOCCOCCOCCOCCOCCO)cc1Nc1nc(Cl)nc2c1ncn2C.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is YXIKVCFACBFDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38ClN7O8/c1-31-18-26-20-21(28-24(25)29-22(20)31)27-19-17-32(30-23(19)34-2)3-5-35-7-9-37-11-13-39-15-16-40-14-12-38-10-8-36-6-4-33/h17-18,33H,3-16H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 588.06 g/mol, XLogP of 1.06, 23 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 175886809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).