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

C44H31Cl3F16N12O2 — CID 160534264

IUPAC2-(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
SMILESCc1c(F)cc(Cc2nc(-c3ncc(Cl)c(Cl)n3)cn3ccnc23)cc1F.Cc1c(F)cc(Cc2nc(-c3ncc(Cl)c(NCC(O)(C(F)(F)F)C(F)(F)F)n3)cn3ccnc23)cc1F.NCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H15ClF8N6O.C18H11Cl2F2N5.C4H5F6NO/c1-10-13(24)4-11(5-14(10)25)6-15-19-32-2-3-37(19)8-16(35-15)18-33-7-12(23)17(36-18)34-9-20(38,21(26,27)28)22(29,30)31;1-9-12(21)4-10(5-13(9)22)6-14-18-23-2-3-27(18)8-15(25-14)17-24-7-11(19)16(20)26-17;5-3(6,7)2(12,1-11)4(8,9)10/h2-5,7-8,38H,6,9H2,1H3,(H,33,34,36);2-5,7-8H,6H2,1H3;12H,1,11H2
InChIKeyQVYGNDJLIJCMEX-UHFFFAOYSA-N
MW1170.14 g/mol
LogP10.76
Rot. Bonds10

About 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

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 (PubChem CID 160534264) has the molecular formula C44H31Cl3F16N12O2 and a molecular weight of 1170.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160534264
Molecular FormulaC44H31Cl3F16N12O2
Molecular Weight1170.14 g/mol
Exact Mass1168.15
IUPAC Name2-(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
SMILESCc1c(F)cc(Cc2nc(-c3ncc(Cl)c(Cl)n3)cn3ccnc23)cc1F.Cc1c(F)cc(Cc2nc(-c3ncc(Cl)c(NCC(O)(C(F)(F)F)C(F)(F)F)n3)cn3ccnc23)cc1F.NCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H15ClF8N6O.C18H11Cl2F2N5.C4H5F6NO/c1-10-13(24)4-11(5-14(10)25)6-15-19-32-2-3-37(19)8-16(35-15)18-33-7-12(23)17(36-18)34-9-20(38,21(26,27)28)22(29,30)31;1-9-12(21)4-10(5-13(9)22)6-14-18-23-2-3-27(18)8-15(25-14)17-24-7-11(19)16(20)26-17;5-3(6,7)2(12,1-11)4(8,9)10/h2-5,7-8,38H,6,9H2,1H3,(H,33,34,36);2-5,7-8H,6H2,1H3;12H,1,11H2
InChIKeyQVYGNDJLIJCMEX-UHFFFAOYSA-N
XLogP10.76
TPSA190.45 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001170.14
LogP ≤ 510.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

1-[4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[4,5-b]pyridin-5-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 9937875
N,N'-bis[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]-N,N'-dimethylmethanediamine
CID 58824369
1-[4-[2-(4-fluorophenyl)-1-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[4,5-b]pyridin-5-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 59084624
1-(2-((6-Chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)methylamino)pyrimidin-4-yl)pyrrolidin-3-ol
CID 67028781
6-(4,5-Dichloropyrimidin-2-yl)-8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazine
CID 142611005
3-[[5-Chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 142611017
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
CID 142611033
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-ol
CID 142611037
1-[[2-[3-Chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 142611039
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
3-(6-chloro-2-pyridinyl)-2-methylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 157532580
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(F)cc(Cc2nc(-c3ncc(Cl)c(Cl)n3)cn3ccnc23)cc1F.Cc1c(F)cc(Cc2nc(-c3ncc(Cl)c(NCC(O)(C(F)(F)F)C(F)(F)F)n3)cn3ccnc23)cc1F.NCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is QVYGNDJLIJCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF8N6O.C18H11Cl2F2N5.C4H5F6NO/c1-10-13(24)4-11(5-14(10)25)6-15-19-32-2-3-37(19)8-16(35-15)18-33-7-12(23)17(36-18)34-9-20(38,21(26,27)28)22(29,30)31;1-9-12(21)4-10(5-13(9)22)6-14-18-23-2-3-27(18)8-15(25-14)17-24-7-11(19)16(20)26-17;5-3(6,7)2(12,1-11)4(8,9)10/h2-5,7-8,38H,6,9H2,1H3,(H,33,34,36);2-5,7-8H,6H2,1H3;12H,1,11H2.
What are the key properties of 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?
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 has a molecular weight of 1170.14 g/mol, XLogP of 10.76, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160534264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).