N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide

C22H27FN6O — CID 53189031

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C22H27FN6O/c1-2-27-12-14-28(15-13-27)10-3-8-25-22(30)19-16-29-11-9-24-20(21(29)26-19)17-4-6-18(23)7-5-17/h4-7,9,11,16H,2-3,8,10,12-15H2,1H3,(H,25,30)
InChIKeyZAGKQFLHJAMZSX-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.29
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 53189031) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID53189031
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C22H27FN6O/c1-2-27-12-14-28(15-13-27)10-3-8-25-22(30)19-16-29-11-9-24-20(21(29)26-19)17-4-6-18(23)7-5-17/h4-7,9,11,16H,2-3,8,10,12-15H2,1H3,(H,25,30)
InChIKeyZAGKQFLHJAMZSX-UHFFFAOYSA-N
XLogP2.29
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 53189031) is N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide is CCN1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ZAGKQFLHJAMZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-2-27-12-14-28(15-13-27)10-3-8-25-22(30)19-16-29-11-9-24-20(21(29)26-19)17-4-6-18(23)7-5-17/h4-7,9,11,16H,2-3,8,10,12-15H2,1H3,(H,25,30).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-8-(4-fluorophenyl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53189031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).