N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide

C22H28N6O2 — CID 53188958

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1
InChIInChI=1S/C22H28N6O2/c1-3-26-12-14-27(15-13-26)10-8-24-22(29)19-16-28-11-9-23-20(21(28)25-19)17-4-6-18(30-2)7-5-17/h4-7,9,11,16H,3,8,10,12-15H2,1-2H3,(H,24,29)
InChIKeyNSSFILYZDQBSIA-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 53188958) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID53188958
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1
InChIInChI=1S/C22H28N6O2/c1-3-26-12-14-27(15-13-26)10-8-24-22(29)19-16-28-11-9-23-20(21(28)25-19)17-4-6-18(30-2)7-5-17/h4-7,9,11,16H,3,8,10,12-15H2,1-2H3,(H,24,29)
InChIKeyNSSFILYZDQBSIA-UHFFFAOYSA-N
XLogP1.77
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 53188958) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide is CCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is NSSFILYZDQBSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-3-26-12-14-27(15-13-26)10-8-24-22(29)19-16-28-11-9-23-20(21(28)25-19)17-4-6-18(30-2)7-5-17/h4-7,9,11,16H,3,8,10,12-15H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53188958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).