[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

C25H22FN7O2 — CID 137372420

IUPAC[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc21
InChIInChI=1S/C25H22FN7O2/c1-31-14-28-18-6-5-16(12-20(18)31)22-21(15-3-2-4-17(26)11-15)30-23(27)24-29-19(13-33(22)24)25(34)32-7-9-35-10-8-32/h2-6,11-14H,7-10H2,1H3,(H2,27,30)
InChIKeyRIEPRIJSRJPXFR-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.14
Rot. Bonds3

About [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 137372420) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID137372420
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc21
InChIInChI=1S/C25H22FN7O2/c1-31-14-28-18-6-5-16(12-20(18)31)22-21(15-3-2-4-17(26)11-15)30-23(27)24-29-19(13-33(22)24)25(34)32-7-9-35-10-8-32/h2-6,11-14H,7-10H2,1H3,(H2,27,30)
InChIKeyRIEPRIJSRJPXFR-UHFFFAOYSA-N
XLogP3.14
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 137372420) is [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is Cn1cnc2ccc(-c3c(-c4cccc(F)c4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc21.
What is the InChIKey of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is RIEPRIJSRJPXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-31-14-28-18-6-5-16(12-20(18)31)22-21(15-3-2-4-17(26)11-15)30-23(27)24-29-19(13-33(22)24)25(34)32-7-9-35-10-8-32/h2-6,11-14H,7-10H2,1H3,(H2,27,30).
What are the key properties of [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
[8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 471.50 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(3-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137372420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).