[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C24H25Cl2N5O2 — CID 21111106

IUPAC[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(Oc1nc(-c2cccc(C(=O)N3CCN(C)CC3)c2)cnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H25Cl2N5O2/c1-15(21-18(25)7-4-8-19(21)26)33-23-22(27)28-14-20(29-23)16-5-3-6-17(13-16)24(32)31-11-9-30(2)10-12-31/h3-8,13-15H,9-12H2,1-2H3,(H2,27,28)
InChIKeyLSQMGGSDIJYTIZ-UHFFFAOYSA-N
MW486.40 g/mol
LogP4.56
Rot. Bonds5

About [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 21111106) has the molecular formula C24H25Cl2N5O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID21111106
Molecular FormulaC24H25Cl2N5O2
Molecular Weight486.40 g/mol
Exact Mass485.14
IUPAC Name[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(Oc1nc(-c2cccc(C(=O)N3CCN(C)CC3)c2)cnc1N)c1c(Cl)cccc1Cl
InChIInChI=1S/C24H25Cl2N5O2/c1-15(21-18(25)7-4-8-19(21)26)33-23-22(27)28-14-20(29-23)16-5-3-6-17(13-16)24(32)31-11-9-30(2)10-12-31/h3-8,13-15H,9-12H2,1-2H3,(H2,27,28)
InChIKeyLSQMGGSDIJYTIZ-UHFFFAOYSA-N
XLogP4.56
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 21111106) is [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CC(Oc1nc(-c2cccc(C(=O)N3CCN(C)CC3)c2)cnc1N)c1c(Cl)cccc1Cl.
What is the InChIKey of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LSQMGGSDIJYTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2/c1-15(21-18(25)7-4-8-19(21)26)33-23-22(27)28-14-20(29-23)16-5-3-6-17(13-16)24(32)31-11-9-30(2)10-12-31/h3-8,13-15H,9-12H2,1-2H3,(H2,27,28).
What are the key properties of [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 486.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 21111106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).