7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C28H28FN5O2 — CID 145195069

IUPAC7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc([C@@H](CO)N2CCn3cc(-c4nc(Nc5ccc(F)cc5C)ncc4C)cc3C2=O)cc1
InChIInChI=1S/C28H28FN5O2/c1-17-4-6-20(7-5-17)25(16-35)34-11-10-33-15-21(13-24(33)27(34)36)26-19(3)14-30-28(32-26)31-23-9-8-22(29)12-18(23)2/h4-9,12-15,25,35H,10-11,16H2,1-3H3,(H,30,31,32)/t25-/m1/s1
InChIKeyAZYWLLDYUIEVKA-RUZDIDTESA-N
MW485.56 g/mol
LogP4.94
Rot. Bonds6

About 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 145195069) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID145195069
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc([C@@H](CO)N2CCn3cc(-c4nc(Nc5ccc(F)cc5C)ncc4C)cc3C2=O)cc1
InChIInChI=1S/C28H28FN5O2/c1-17-4-6-20(7-5-17)25(16-35)34-11-10-33-15-21(13-24(33)27(34)36)26-19(3)14-30-28(32-26)31-23-9-8-22(29)12-18(23)2/h4-9,12-15,25,35H,10-11,16H2,1-3H3,(H,30,31,32)/t25-/m1/s1
InChIKeyAZYWLLDYUIEVKA-RUZDIDTESA-N
XLogP4.94
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

7-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-2-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 134610646
2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 134610704
2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-[2-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 134610670
2-[1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(2-chloro-4-piperidin-4-ylanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 134610654
2-[2-hydroxy-1-(3-hydroxyphenyl)ethyl]-7-[5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 145195064
7-[2-(1,3-benzodioxol-4-ylamino)-5-methylpyrimidin-4-yl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 153371892
2-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-[5-methyl-2-[(1-methylpyrrol-2-yl)amino]pyrimidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 165039232
2-[7-fluoro-6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
CID 162648971
7-[2-[2-chloro-4-(1-propan-2-ylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3,4,4a,5-tetrahydroisoquinolin-1-one
CID 145195046
(2R)-2-[7-[5-chloro-2-[[(2S,3S)-2-hydroxy-3-methylaziridin-1-yl]amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide
CID 155727089
2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 154930800
N-(4-fluoro-2-methylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 25239272

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 145195069) is 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is Cc1ccc([C@@H](CO)N2CCn3cc(-c4nc(Nc5ccc(F)cc5C)ncc4C)cc3C2=O)cc1.
What is the InChIKey of 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is AZYWLLDYUIEVKA-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-17-4-6-20(7-5-17)25(16-35)34-11-10-33-15-21(13-24(33)27(34)36)26-19(3)14-30-28(32-26)31-23-9-8-22(29)12-18(23)2/h4-9,12-15,25,35H,10-11,16H2,1-3H3,(H,30,31,32)/t25-/m1/s1.
What are the key properties of 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 485.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluoro-2-methylanilino)-5-methylpyrimidin-4-yl]-2-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 145195069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).