3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride

C52H34Cl6F6N15O3P — CID 161453599

IUPAC3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride
SMILESC.Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2c(Cl)cnc12.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cn3c(Cl)cnc3c(Cc3ccccc3F)n2)ncc1F.O=c1[nH]c(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C17H9Cl2F2N5.C17H10ClF2N5O.C17H11F2N5O.CH4.Cl3OP/c18-14-7-23-17-12(5-9-3-1-2-4-10(9)20)24-13(8-26(14)17)16-22-6-11(21)15(19)25-16;18-14-7-22-16-12(5-9-3-1-2-4-10(9)19)23-13(8-25(14)16)15-21-6-11(20)17(26)24-15;18-11-4-2-1-3-10(11)7-13-16-20-5-6-24(16)9-14(22-13)15-21-8-12(19)17(25)23-15;;1-5(2,3)4/h1-4,6-8H,5H2;1-4,6-8H,5H2,(H,21,24,26);1-6,8-9H,7H2,(H,21,23,25);1H4;
InChIKeyWAVWWLINSHKJPV-UHFFFAOYSA-N
MW1274.63 g/mol
LogP13.16
Rot. Bonds9

About 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride

3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride (PubChem CID 161453599) has the molecular formula C52H34Cl6F6N15O3P and a molecular weight of 1274.63 g/mol. Its IUPAC name is 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride.

Molecular Properties

Compound Name3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride
PubChem CID161453599
Molecular FormulaC52H34Cl6F6N15O3P
Molecular Weight1274.63 g/mol
Exact Mass1271.07
IUPAC Name3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride
SMILESC.Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2c(Cl)cnc12.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cn3c(Cl)cnc3c(Cc3ccccc3F)n2)ncc1F.O=c1[nH]c(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C17H9Cl2F2N5.C17H10ClF2N5O.C17H11F2N5O.CH4.Cl3OP/c18-14-7-23-17-12(5-9-3-1-2-4-10(9)20)24-13(8-26(14)17)16-22-6-11(21)15(19)25-16;18-14-7-22-16-12(5-9-3-1-2-4-10(9)19)23-13(8-25(14)16)15-21-6-11(20)17(26)24-15;18-11-4-2-1-3-10(11)7-13-16-20-5-6-24(16)9-14(22-13)15-21-8-12(19)17(25)23-15;;1-5(2,3)4/h1-4,6-8H,5H2;1-4,6-8H,5H2,(H,21,24,26);1-6,8-9H,7H2,(H,21,23,25);1H4;
InChIKeyWAVWWLINSHKJPV-UHFFFAOYSA-N
XLogP13.16
TPSA224.92 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.63
LogP ≤ 513.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride with MolForge

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Related Compounds

N-[amino-[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-(4-fluorophenyl)-2-pyridinyl]methyl]-3-[3-[2-(4-fluorophenyl)-6-(methylamino)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-methylbenzamide
CID 68486317
Tris[1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]propan-2-yl] phosphate
CID 155339156
2-[[5-Chloro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]-1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[7-(1,1-difluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 157279779
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol;6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;1,1,1-trifluoro-3-[[5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 158018591
tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729
3-(6-chloro-5-methyl-2-pyridinyl)-2-methylimidazo[1,2-a]pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloropyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;3-methyl-6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 158464831
azane;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;5-fluoro-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate
CID 158982357
N-[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide;2,5-dichloro-4-(3,5-dimethyl-2-pyridinyl)pyridine;2,2,2-trifluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)acetamide
CID 159066483
potassium;N-tert-butyl-2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoro-N-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetamide;hydroxide
CID 159926971
2-(Aminomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;6-(4,5-dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine
CID 160534264
3-(6-chloro-5-methyl-2-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine;2,6-dichloro-3-methylpyridine;2,6-dichloropyridine;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;bis(palladium)
CID 161710310
5-(4-fluorophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(4-fluorophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 162012397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride?
The IUPAC name of 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride (CID 161453599) is 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride.
What is the SMILES notation for 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride?
The canonical SMILES for 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride is C.Fc1ccccc1Cc1nc(-c2ncc(F)c(Cl)n2)cn2c(Cl)cnc12.O=P(Cl)(Cl)Cl.O=c1[nH]c(-c2cn3c(Cl)cnc3c(Cc3ccccc3F)n2)ncc1F.O=c1[nH]c(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride?
The InChIKey is WAVWWLINSHKJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F2N5.C17H10ClF2N5O.C17H11F2N5O.CH4.Cl3OP/c18-14-7-23-17-12(5-9-3-1-2-4-10(9)20)24-13(8-26(14)17)16-22-6-11(21)15(19)25-16;18-14-7-22-16-12(5-9-3-1-2-4-10(9)19)23-13(8-25(14)16)15-21-6-11(20)17(26)24-15;18-11-4-2-1-3-10(11)7-13-16-20-5-6-24(16)9-14(22-13)15-21-8-12(19)17(25)23-15;;1-5(2,3)4/h1-4,6-8H,5H2;1-4,6-8H,5H2,(H,21,24,26);1-6,8-9H,7H2,(H,21,23,25);1H4;.
What are the key properties of 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride?
3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride has a molecular weight of 1274.63 g/mol, XLogP of 13.16, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-chloro-5-fluoropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-1H-pyrimidin-6-one;5-fluoro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methane;phosphoryl trichloride is sourced from PubChem (CID 161453599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).