5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine

C26H27ClFN3O2 — CID 142247160

IUPAC5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2OC)c(CC)nc1NC1=C(OCCF)Cc2ccccc21
InChIInChI=1S/C26H27ClFN3O2/c1-4-20-24(19-11-10-17(27)15-22(19)32-3)29-21(5-2)26(30-20)31-25-18-9-7-6-8-16(18)14-23(25)33-13-12-28/h6-11,15H,4-5,12-14H2,1-3H3,(H,30,31)
InChIKeyGISODMFOUJYVEB-UHFFFAOYSA-N
MW467.97 g/mol
LogP6.25
Rot. Bonds9

About 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine

5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine (PubChem CID 142247160) has the molecular formula C26H27ClFN3O2 and a molecular weight of 467.97 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine
PubChem CID142247160
Molecular FormulaC26H27ClFN3O2
Molecular Weight467.97 g/mol
Exact Mass467.18
IUPAC Name5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2OC)c(CC)nc1NC1=C(OCCF)Cc2ccccc21
InChIInChI=1S/C26H27ClFN3O2/c1-4-20-24(19-11-10-17(27)15-22(19)32-3)29-21(5-2)26(30-20)31-25-18-9-7-6-8-16(18)14-23(25)33-13-12-28/h6-11,15H,4-5,12-14H2,1-3H3,(H,30,31)
InChIKeyGISODMFOUJYVEB-UHFFFAOYSA-N
XLogP6.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.97
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine (CID 142247160) is 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine is CCc1nc(-c2ccc(Cl)cc2OC)c(CC)nc1NC1=C(OCCF)Cc2ccccc21.
What is the InChIKey of 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine?
The InChIKey is GISODMFOUJYVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O2/c1-4-20-24(19-11-10-17(27)15-22(19)32-3)29-21(5-2)26(30-20)31-25-18-9-7-6-8-16(18)14-23(25)33-13-12-28/h6-11,15H,4-5,12-14H2,1-3H3,(H,30,31).
What are the key properties of 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine?
5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine has a molecular weight of 467.97 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methoxyphenyl)-3,6-diethyl-N-[2-(2-fluoroethoxy)-3H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 142247160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).