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

C24H21FN6O2 — CID 122656218

IUPAC6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)ccc2N1
InChIInChI=1S/C24H21FN6O2/c25-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-27-24(32)28-19)31-8-7-26-22(23(31)29-20)30-9-11-33-12-10-30/h1-8,13H,9-12,14H2,(H2,27,28,32)
InChIKeySJMGSRGIQQLXLZ-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.67
Rot. Bonds3

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

6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 122656218) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one
PubChem CID122656218
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)ccc2N1
InChIInChI=1S/C24H21FN6O2/c25-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-27-24(32)28-19)31-8-7-26-22(23(31)29-20)30-9-11-33-12-10-30/h1-8,13H,9-12,14H2,(H2,27,28,32)
InChIKeySJMGSRGIQQLXLZ-UHFFFAOYSA-N
XLogP3.67
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk-3494245
CID 126571915
N-(2,6-dimethylphenyl)-12-piperazin-1-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 19605714
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
CID 44431983
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]propane-1,3-diol
CID 44431985
1-{4-[7-(2,2,2-trifluoroethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}-3-pyridin-4-ylurea
CID 44599203
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-(piperidin-2-ylmethyl)benzamide
CID 71667102
2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-N-piperidin-3-ylbenzamide
CID 71667249
US10513523, Example 74
CID 122655984

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one (CID 122656218) is 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)ccc2N1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is SJMGSRGIQQLXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c25-18-4-1-15(2-5-18)20-21(16-3-6-19-17(13-16)14-27-24(32)28-19)31-8-7-26-22(23(31)29-20)30-9-11-33-12-10-30/h1-8,13H,9-12,14H2,(H2,27,28,32).
What are the key properties of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one?
6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 444.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 122656218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).