2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C26H23ClFN5O2 — CID 134610704

IUPAC2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cnc(Nc2ccc(F)cc2)nc1-c1cc2n(c1)CCN([C@@H](CO)c1cccc(Cl)c1)C2=O
InChIInChI=1S/C26H23ClFN5O2/c1-16-13-29-26(30-21-7-5-20(28)6-8-21)31-24(16)18-12-22-25(35)33(10-9-32(22)14-18)23(15-34)17-3-2-4-19(27)11-17/h2-8,11-14,23,34H,9-10,15H2,1H3,(H,29,30,31)/t23-/m0/s1
InChIKeyQGIWIJJNDWXSKJ-QHCPKHFHSA-N
MW491.95 g/mol
LogP4.98
Rot. Bonds6

About 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 134610704) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID134610704
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC Name2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cnc(Nc2ccc(F)cc2)nc1-c1cc2n(c1)CCN([C@@H](CO)c1cccc(Cl)c1)C2=O
InChIInChI=1S/C26H23ClFN5O2/c1-16-13-29-26(30-21-7-5-20(28)6-8-21)31-24(16)18-12-22-25(35)33(10-9-32(22)14-18)23(15-34)17-3-2-4-19(27)11-17/h2-8,11-14,23,34H,9-10,15H2,1H3,(H,29,30,31)/t23-/m0/s1
InChIKeyQGIWIJJNDWXSKJ-QHCPKHFHSA-N
XLogP4.98
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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-[(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
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
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
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
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
6-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 155184089
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(2-methylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 75034278
2-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-6-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-dihydropyrrolo[1,2-c]imidazol-3-ol
CID 167109224
2-(3-chlorophenyl)-2-[1-[1-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methylpyrrol-3-yl]ethenylamino]ethanol
CID 170154042
6-[2-[[(2R)-butan-2-yl]amino]-5-chloropyrimidin-4-yl]-2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrolo[1,2-c]imidazol-3-one;6-[5-chloro-2-[(3-hydroxy-4-methylcyclopentyl)amino]pyrimidin-4-yl]-2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrolo[1,2-c]imidazol-3-one;2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-6-[5-methyl-2-[(1-methylpyrrol-2-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-c]pyrimidin-1-one
CID 164987538

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 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) is 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is Cc1cnc(Nc2ccc(F)cc2)nc1-c1cc2n(c1)CCN([C@@H](CO)c1cccc(Cl)c1)C2=O.
What is the InChIKey of 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is QGIWIJJNDWXSKJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c1-16-13-29-26(30-21-7-5-20(28)6-8-21)31-24(16)18-12-22-25(35)33(10-9-32(22)14-18)23(15-34)17-3-2-4-19(27)11-17/h2-8,11-14,23,34H,9-10,15H2,1H3,(H,29,30,31)/t23-/m0/s1.
What are the key properties of 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 491.95 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(4-fluoroanilino)-5-methylpyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 134610704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).