4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide

C26H32N6O2 — CID 155483876

IUPAC4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide
SMILESC=C[C@@]12CCCN1CCN(c1ccc(C(=O)Nc3cn4cc(C)nc4c(C)n3)c(OCC)c1)C2
InChIInChI=1S/C26H32N6O2/c1-5-26-10-7-11-32(26)13-12-30(17-26)20-8-9-21(22(14-20)34-6-2)25(33)29-23-16-31-15-18(3)27-24(31)19(4)28-23/h5,8-9,14-16H,1,6-7,10-13,17H2,2-4H3,(H,29,33)/t26-/m0/s1
InChIKeyBUELEILIZLJASY-SANMLTNESA-N
MW460.58 g/mol
LogP3.84
Rot. Bonds6

About 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide

4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide (PubChem CID 155483876) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide.

Molecular Properties

Compound Name4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide
PubChem CID155483876
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide
SMILESC=C[C@@]12CCCN1CCN(c1ccc(C(=O)Nc3cn4cc(C)nc4c(C)n3)c(OCC)c1)C2
InChIInChI=1S/C26H32N6O2/c1-5-26-10-7-11-32(26)13-12-30(17-26)20-8-9-21(22(14-20)34-6-2)25(33)29-23-16-31-15-18(3)27-24(31)19(4)28-23/h5,8-9,14-16H,1,6-7,10-13,17H2,2-4H3,(H,29,33)/t26-/m0/s1
InChIKeyBUELEILIZLJASY-SANMLTNESA-N
XLogP3.84
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide
CID 177108736
2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide
CID 177108640
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]benzamide
CID 155483868
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 175963725
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507653
N-(6-aminopyridazin-3-yl)-7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 176646353
N-(6-bromopyridazin-3-yl)-7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 176646314
5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 166507780
2-(2,7-diazaspiro[4.5]decan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108717
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166558395
2-(4,7-diazaspiro[2.5]octan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 175897407
N-(2-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704676

Frequently Asked Questions

What is the IUPAC name of 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide?
The IUPAC name of 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide (CID 155483876) is 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide.
What is the SMILES notation for 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide?
The canonical SMILES for 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide is C=C[C@@]12CCCN1CCN(c1ccc(C(=O)Nc3cn4cc(C)nc4c(C)n3)c(OCC)c1)C2.
What is the InChIKey of 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide?
The InChIKey is BUELEILIZLJASY-SANMLTNESA-N. The full InChI is InChI=1S/C26H32N6O2/c1-5-26-10-7-11-32(26)13-12-30(17-26)20-8-9-21(22(14-20)34-6-2)25(33)29-23-16-31-15-18(3)27-24(31)19(4)28-23/h5,8-9,14-16H,1,6-7,10-13,17H2,2-4H3,(H,29,33)/t26-/m0/s1.
What are the key properties of 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide?
4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide has a molecular weight of 460.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8aR)-8a-ethenyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-ethoxybenzamide is sourced from PubChem (CID 155483876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).