3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one

C24H25BrFN3O2 — CID 138532201

IUPAC3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC=C(c1ccc(-c2cccn3c(=O)c(Br)c(C(C)(C)F)nc23)cc1)N1CCO[C@H](C)C1
InChIInChI=1S/C24H25BrFN3O2/c1-15-14-28(12-13-31-15)16(2)17-7-9-18(10-8-17)19-6-5-11-29-22(19)27-21(24(3,4)26)20(25)23(29)30/h5-11,15H,2,12-14H2,1,3-4H3/t15-/m1/s1
InChIKeyZHZWQTRFCGTTBO-OAHLLOKOSA-N
MW486.39 g/mol
LogP5.02
Rot. Bonds4

About 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one

3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 138532201) has the molecular formula C24H25BrFN3O2 and a molecular weight of 486.39 g/mol. Its IUPAC name is 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID138532201
Molecular FormulaC24H25BrFN3O2
Molecular Weight486.39 g/mol
Exact Mass485.11
IUPAC Name3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC=C(c1ccc(-c2cccn3c(=O)c(Br)c(C(C)(C)F)nc23)cc1)N1CCO[C@H](C)C1
InChIInChI=1S/C24H25BrFN3O2/c1-15-14-28(12-13-31-15)16(2)17-7-9-18(10-8-17)19-6-5-11-29-22(19)27-21(24(3,4)26)20(25)23(29)30/h5-11,15H,2,12-14H2,1,3-4H3/t15-/m1/s1
InChIKeyZHZWQTRFCGTTBO-OAHLLOKOSA-N
XLogP5.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-9-[4-(6,6-difluoro-1,4-oxazepane-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 138532083
3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 138532197
9-[4-(2,2-difluoromorpholine-4-carbonyl)phenyl]-3-methyl-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 138532150
4-[3-bromo-4-oxo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-9-yl]-2-fluoro-N-methyl-N-(1-methylcyclopropyl)benzamide
CID 138532105
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
[2-bromo-3-(trifluoromethyl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647312
(2-methylmorpholin-4-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 47803850
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 97338117

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one (CID 138532201) is 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one is C=C(c1ccc(-c2cccn3c(=O)c(Br)c(C(C)(C)F)nc23)cc1)N1CCO[C@H](C)C1.
What is the InChIKey of 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZHZWQTRFCGTTBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25BrFN3O2/c1-15-14-28(12-13-31-15)16(2)17-7-9-18(10-8-17)19-6-5-11-29-22(19)27-21(24(3,4)26)20(25)23(29)30/h5-11,15H,2,12-14H2,1,3-4H3/t15-/m1/s1.
What are the key properties of 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 486.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-fluoropropan-2-yl)-9-[4-[1-[(2R)-2-methylmorpholin-4-yl]ethenyl]phenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138532201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).