3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine

C24H20F2N6O — CID 122663692

IUPAC3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine
SMILESNn1cc(F)c2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)ccc21
InChIInChI=1S/C24H20F2N6O/c25-17-4-1-15(2-5-17)21-22(16-3-6-20-18(13-16)19(26)14-32(20)27)31-8-7-28-23(24(31)29-21)30-9-11-33-12-10-30/h1-8,13-14H,9-12,27H2
InChIKeyKETFNTIISAOOGI-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.85
Rot. Bonds3

About 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine

3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine (PubChem CID 122663692) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine.

Molecular Properties

Compound Name3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine
PubChem CID122663692
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine
SMILESNn1cc(F)c2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)ccc21
InChIInChI=1S/C24H20F2N6O/c25-17-4-1-15(2-5-17)21-22(16-3-6-20-18(13-16)19(26)14-32(20)27)31-8-7-28-23(24(31)29-21)30-9-11-33-12-10-30/h1-8,13-14H,9-12,27H2
InChIKeyKETFNTIISAOOGI-UHFFFAOYSA-N
XLogP3.85
TPSA73.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine?
The IUPAC name of 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine (CID 122663692) is 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine.
What is the SMILES notation for 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine?
The canonical SMILES for 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine is Nn1cc(F)c2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)ccc21.
What is the InChIKey of 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine?
The InChIKey is KETFNTIISAOOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c25-17-4-1-15(2-5-17)21-22(16-3-6-20-18(13-16)19(26)14-32(20)27)31-8-7-28-23(24(31)29-21)30-9-11-33-12-10-30/h1-8,13-14H,9-12,27H2.
What are the key properties of 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine?
3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine has a molecular weight of 446.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine is sourced from PubChem (CID 122663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).