3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

C83H78F13N29O — CID 161226120

IUPAC3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
SMILESCC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1nccc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ncc(F)c(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1
InChIInChI=1S/C21H20F4N8.2C21H20F3N7.C20H18F3N7O/c1-11-9-32(12(2)18(30-11)13-3-4-26-5-13)20-29-6-14(22)19(31-20)15-7-28-17-8-27-16(10-33(15)17)21(23,24)25;2*1-13-15(14-4-6-25-9-14)3-2-8-30(13)18-5-7-26-20(29-18)16-10-28-19-11-27-17(12-31(16)19)21(22,23)24;1-12-18(13-2-4-24-8-13)31-7-6-29(12)19-25-5-3-14(28-19)15-9-27-17-10-26-16(11-30(15)17)20(21,22)23/h3,5-8,10-12,18,30H,4,9H2,1-2H3;2*4-5,7,9-13,15H,2-3,6,8H2,1H3;2-3,5,8-12,18H,4,6-7H2,1H3
InChIKeyUYDLNWDIIFSHHC-UHFFFAOYSA-N
MW1744.71 g/mol
LogP13.36
Rot. Bonds12

About 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine

3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 161226120) has the molecular formula C83H78F13N29O and a molecular weight of 1744.71 g/mol. Its IUPAC name is 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID161226120
Molecular FormulaC83H78F13N29O
Molecular Weight1744.71 g/mol
Exact Mass1743.67
IUPAC Name3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
SMILESCC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1nccc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ncc(F)c(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1
InChIInChI=1S/C21H20F4N8.2C21H20F3N7.C20H18F3N7O/c1-11-9-32(12(2)18(30-11)13-3-4-26-5-13)20-29-6-14(22)19(31-20)15-7-28-17-8-27-16(10-33(15)17)21(23,24)25;2*1-13-15(14-4-6-25-9-14)3-2-8-30(13)18-5-7-26-20(29-18)16-10-28-19-11-27-17(12-31(16)19)21(22,23)24;1-12-18(13-2-4-24-8-13)31-7-6-29(12)19-25-5-3-14(28-19)15-9-27-17-10-26-16(11-30(15)17)20(21,22)23/h3,5-8,10-12,18,30H,4,9H2,1-2H3;2*4-5,7,9-13,15H,2-3,6,8H2,1H3;2-3,5,8-12,18H,4,6-7H2,1H3
InChIKeyUYDLNWDIIFSHHC-UHFFFAOYSA-N
XLogP13.36
TPSA307.54 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.71
LogP ≤ 513.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-pyrimidin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123133250
N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117091938
N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 118164325
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 118164362
2-(3,3-difluoroazetidin-1-yl)-N-[6-[5-[[3-[2-(3,3-difluoroazetidin-1-yl)-6-[[6-[4-[[3-[2-(3,3-difluoroazetidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]methyl]imidazol-1-yl]-4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]methyl]pyrimidin-2-yl]-4-(trifluoromethyl)-2-pyridinyl]-6-[1-(oxolan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 123895331
(E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine
CID 139358302
N-[5-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-2-pyridinyl]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine
CID 156449555
2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2S,6R)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 156692591
5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 156725863
Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157063868
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;4-[2-(6-methyl-3-pyridinyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-7,8-dihydro-6H-purino[9,8-a]pyrrol-4-yl]morpholine;4-[2-(2-methylpyrimidin-5-yl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-yl]morpholine;2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 157587753
4-[2-(5,10-Dimethyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(5,10-dimethyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(12-fluoro-6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)ethyl]morpholine;methane;4-[2-(6-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;hydrochloride
CID 157641158

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine (CID 161226120) is 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine is CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)CCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1C(C2=CCN=C2)OCCN1c1nccc(-c2cnc3cnc(C(F)(F)F)cn23)n1.CC1CN(c2ncc(F)c(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C(C2=CCN=C2)N1.
What is the InChIKey of 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is UYDLNWDIIFSHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N8.2C21H20F3N7.C20H18F3N7O/c1-11-9-32(12(2)18(30-11)13-3-4-26-5-13)20-29-6-14(22)19(31-20)15-7-28-17-8-27-16(10-33(15)17)21(23,24)25;2*1-13-15(14-4-6-25-9-14)3-2-8-30(13)18-5-7-26-20(29-18)16-10-28-19-11-27-17(12-31(16)19)21(22,23)24;1-12-18(13-2-4-24-8-13)31-7-6-29(12)19-25-5-3-14(28-19)15-9-27-17-10-26-16(11-30(15)17)20(21,22)23/h3,5-8,10-12,18,30H,4,9H2,1-2H3;2*4-5,7,9-13,15H,2-3,6,8H2,1H3;2-3,5,8-12,18H,4,6-7H2,1H3.
What are the key properties of 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine?
3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1744.71 g/mol, XLogP of 13.36, 12 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]-5-fluoropyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;bis(3-[4-[2-methyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine);3-methyl-2-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 161226120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).