4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C22H18FN7O — CID 122655955

IUPAC4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESFc1ccc(-c2nc3c(N4CCOCC4)nccn3c2-c2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C22H18FN7O/c23-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)27-28-26-17)30-8-7-24-21(22(30)25-19)29-9-11-31-12-10-29/h1-8,13H,9-12H2,(H,26,27,28)
InChIKeyXVCKGFFTDXPCAN-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.31
Rot. Bonds3

About 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 122655955) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID122655955
Molecular FormulaC22H18FN7O
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC Name4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESFc1ccc(-c2nc3c(N4CCOCC4)nccn3c2-c2ccc3n[nH]nc3c2)cc1
InChIInChI=1S/C22H18FN7O/c23-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)27-28-26-17)30-8-7-24-21(22(30)25-19)29-9-11-31-12-10-29/h1-8,13H,9-12H2,(H,26,27,28)
InChIKeyXVCKGFFTDXPCAN-UHFFFAOYSA-N
XLogP3.31
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-fluorophenyl)-3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122656030
3-fluoro-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]indol-1-amine
CID 122663692
1-amino-5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one
CID 122663651
5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
CID 122656128
4-[2-(4-fluorophenyl)-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 137053623
5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
CID 122656008
4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 155514050
1-amino-5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-3H-indol-2-one
CID 122663669
4-[3-(6-ethyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425321
5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
CID 122656091
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]morpholine
CID 53333624
4-[2-methyl-3-[6-(2-methylpropyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67415193

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 122655955) is 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is Fc1ccc(-c2nc3c(N4CCOCC4)nccn3c2-c2ccc3n[nH]nc3c2)cc1.
What is the InChIKey of 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is XVCKGFFTDXPCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O/c23-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)27-28-26-17)30-8-7-24-21(22(30)25-19)29-9-11-31-12-10-29/h1-8,13H,9-12H2,(H,26,27,28).
What are the key properties of 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 415.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 122655955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).