cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate

C29H34Cl2N4O2 — CID 149119529

IUPACcyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate
SMILESCC(C)(NCCc1cccc(-c2cnc(N)c(CCc3c(Cl)cccc3Cl)n2)c1)C(=O)OC1CCCC1
InChIInChI=1S/C29H34Cl2N4O2/c1-29(2,28(36)37-21-9-3-4-10-21)34-16-15-19-7-5-8-20(17-19)26-18-33-27(32)25(35-26)14-13-22-23(30)11-6-12-24(22)31/h5-8,11-12,17-18,21,34H,3-4,9-10,13-16H2,1-2H3,(H2,32,33)
InChIKeyQZFYGXZMOIGHIG-UHFFFAOYSA-N
MW541.52 g/mol
LogP6.21
Rot. Bonds10

About cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate

cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate (PubChem CID 149119529) has the molecular formula C29H34Cl2N4O2 and a molecular weight of 541.52 g/mol. Its IUPAC name is cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namecyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate
PubChem CID149119529
Molecular FormulaC29H34Cl2N4O2
Molecular Weight541.52 g/mol
Exact Mass540.21
IUPAC Namecyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate
SMILESCC(C)(NCCc1cccc(-c2cnc(N)c(CCc3c(Cl)cccc3Cl)n2)c1)C(=O)OC1CCCC1
InChIInChI=1S/C29H34Cl2N4O2/c1-29(2,28(36)37-21-9-3-4-10-21)34-16-15-19-7-5-8-20(17-19)26-18-33-27(32)25(35-26)14-13-22-23(30)11-6-12-24(22)31/h5-8,11-12,17-18,21,34H,3-4,9-10,13-16H2,1-2H3,(H2,32,33)
InChIKeyQZFYGXZMOIGHIG-UHFFFAOYSA-N
XLogP6.21
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.52
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate?
The IUPAC name of cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate (CID 149119529) is cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate.
What is the SMILES notation for cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate?
The canonical SMILES for cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate is CC(C)(NCCc1cccc(-c2cnc(N)c(CCc3c(Cl)cccc3Cl)n2)c1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate?
The InChIKey is QZFYGXZMOIGHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34Cl2N4O2/c1-29(2,28(36)37-21-9-3-4-10-21)34-16-15-19-7-5-8-20(17-19)26-18-33-27(32)25(35-26)14-13-22-23(30)11-6-12-24(22)31/h5-8,11-12,17-18,21,34H,3-4,9-10,13-16H2,1-2H3,(H2,32,33).
What are the key properties of cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate?
cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate has a molecular weight of 541.52 g/mol, XLogP of 6.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[2-[3-[5-amino-6-[2-(2,6-dichlorophenyl)ethyl]pyrazin-2-yl]phenyl]ethylamino]-2-methylpropanoate is sourced from PubChem (CID 149119529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).