6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

C54H49F6N13O3 — CID 159711577

IUPAC6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)c1cc(-c2cn3ccnc3c(NCC3CCOCC3)n2)cc(C(F)(F)F)c1.Oc1ccc(-c2cn3ccnc3c(N3CCOCC3)n2)cc1.c1ccc(-c2cn3ccnc3c(NCc3ccncc3)n2)cc1
InChIInChI=1S/C20H18F6N4O.C18H15N5.C16H16N4O2/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)16-11-30-4-3-27-18(30)17(29-16)28-10-12-1-5-31-6-2-12;1-2-4-15(5-3-1)16-13-23-11-10-20-18(23)17(22-16)21-12-14-6-8-19-9-7-14;21-13-3-1-12(2-4-13)14-11-20-6-5-17-15(20)16(18-14)19-7-9-22-10-8-19/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,28,29);1-11,13H,12H2,(H,21,22);1-6,11,21H,7-10H2
InChIKeyMYXDXSAITCAKKC-UHFFFAOYSA-N
MW1042.06 g/mol
LogP10.61
Rot. Bonds10

About 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 159711577) has the molecular formula C54H49F6N13O3 and a molecular weight of 1042.06 g/mol. Its IUPAC name is 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID159711577
Molecular FormulaC54H49F6N13O3
Molecular Weight1042.06 g/mol
Exact Mass1041.40
IUPAC Name6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)c1cc(-c2cn3ccnc3c(NCC3CCOCC3)n2)cc(C(F)(F)F)c1.Oc1ccc(-c2cn3ccnc3c(N3CCOCC3)n2)cc1.c1ccc(-c2cn3ccnc3c(NCc3ccncc3)n2)cc1
InChIInChI=1S/C20H18F6N4O.C18H15N5.C16H16N4O2/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)16-11-30-4-3-27-18(30)17(29-16)28-10-12-1-5-31-6-2-12;1-2-4-15(5-3-1)16-13-23-11-10-20-18(23)17(22-16)21-12-14-6-8-19-9-7-14;21-13-3-1-12(2-4-13)14-11-20-6-5-17-15(20)16(18-14)19-7-9-22-10-8-19/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,28,29);1-11,13H,12H2,(H,21,22);1-6,11,21H,7-10H2
InChIKeyMYXDXSAITCAKKC-UHFFFAOYSA-N
XLogP10.61
TPSA169.45 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001042.06
LogP ≤ 510.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

US10513523, Example 83
CID 137053640
US10513523, Example 96
CID 137053630
US10513523, Example 4
CID 137053641
US10513523, Example 84
CID 137053645
3-[6-[6-(2-Morpholino-ethylamino)-3-pyridyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 126673164
4-[6-[6-(2-Morpholino-ethylamino)-3-pyridyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137120128
4-[2-[[2-(6-Morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]ethyl]phenol
CID 117085490
2-Fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenol
CID 136419494
3,5-difluoro-4-[7-methyl-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]phenol
CID 153626348
3,5-Difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 154965075
4-[8-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
CID 158549751
Methane;4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[4-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 158673869

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (CID 159711577) is 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is FC(F)(F)c1cc(-c2cn3ccnc3c(NCC3CCOCC3)n2)cc(C(F)(F)F)c1.Oc1ccc(-c2cn3ccnc3c(N3CCOCC3)n2)cc1.c1ccc(-c2cn3ccnc3c(NCc3ccncc3)n2)cc1.
What is the InChIKey of 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is MYXDXSAITCAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N4O.C18H15N5.C16H16N4O2/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)16-11-30-4-3-27-18(30)17(29-16)28-10-12-1-5-31-6-2-12;1-2-4-15(5-3-1)16-13-23-11-10-20-18(23)17(22-16)21-12-14-6-8-19-9-7-14;21-13-3-1-12(2-4-13)14-11-20-6-5-17-15(20)16(18-14)19-7-9-22-10-8-19/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,28,29);1-11,13H,12H2,(H,21,22);1-6,11,21H,7-10H2.
What are the key properties of 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 1042.06 g/mol, XLogP of 10.61, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(trifluoromethyl)phenyl]-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol;6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 159711577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).