6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one

C24H20FN5O3 — CID 122656004

IUPAC6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESO=C1Nc2ccc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)cc2CO1
InChIInChI=1S/C24H20FN5O3/c25-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-33-24(31)27-19)30-8-7-26-22(23(30)28-20)29-9-11-32-12-10-29/h1-8,13H,9-12,14H2,(H,27,31)
InChIKeySEKOKOJCLSBGCC-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.10
Rot. Bonds3

About 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one

6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 122656004) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID122656004
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESO=C1Nc2ccc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)cc2CO1
InChIInChI=1S/C24H20FN5O3/c25-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-33-24(31)27-19)30-8-7-26-22(23(30)28-20)29-9-11-32-12-10-29/h1-8,13H,9-12,14H2,(H,27,31)
InChIKeySEKOKOJCLSBGCC-UHFFFAOYSA-N
XLogP4.10
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
CID 54581909
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyloxolan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
CID 54581910
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-ethoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
CID 54583843
1'-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 56602861
3-[4-[3-(6-Fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
CID 139495455
CID 153354193
CID 153354193
3-(8-Morpholino-2-((quinolin-2-yloxy)methyl)imidazo[1,2-a]pyrazin-5-yl)-1,2,4-oxadiazol-5-ol
CID 136310630
(4-fluorophenyl)methyl N-[2-ethyl-8-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]carbamate
CID 168269427
(3,4-difluorophenyl)methyl N-[2-ethyl-6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]carbamate
CID 168273042
(4-fluorophenyl)methyl N-[2-ethyl-6-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]carbamate
CID 168286713
(3,4-difluorophenyl)methyl N-[2-ethyl-6-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]carbamate
CID 168293763
(3,4-difluorophenyl)methyl N-[2-ethyl-8-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamate
CID 168294485

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one (CID 122656004) is 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one is O=C1Nc2ccc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)cc2CO1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is SEKOKOJCLSBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c25-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-33-24(31)27-19)30-8-7-26-22(23(30)28-20)29-9-11-32-12-10-29/h1-8,13H,9-12,14H2,(H,27,31).
What are the key properties of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 445.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 122656004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).