2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile

C151H137F3N66O8 — CID 158526881

IUPAC2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
SMILESCn1cc(-c2cnc(N3CCO[C@H](Cn4nnc5ncc(-c6ccc(F)c(C#N)c6)nc54)C3)nc2)cn1.Cn1cc(-c2cnc(N3CCO[C@H](Cn4nnc5ncc(-c6cccc(C#N)c6)nc54)C3)nc2)cn1.N#Cc1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(CCO)c6)cn5)CCO4)c3n2)ccc1F.N#Cc1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(C6=CCNCC6)cn5)CCO4)c3n2)ccc1F.N#Cc1cccc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(C7CCNCC7)c6)cn5)CCO4)c3n2)c1.N#Cc1cccc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(CCO)c6)cn5)CCO4)c3n2)c1
InChIInChI=1S/C28H28N12O.C25H22FN11O2.C25H23FN10O.C25H23N11O2.C24H20FN11O.C24H21N11O/c29-11-19-2-1-3-20(10-19)25-15-31-26-27(35-25)40(37-36-26)18-24-17-38(8-9-41-24)28-32-12-21(13-33-28)22-14-34-39(16-22)23-4-6-30-7-5-23;26-21-2-1-16(7-17(21)8-27)22-12-28-23-24(32-22)37(34-33-23)15-20-14-35(4-6-39-20)25-29-9-18(10-30-25)19-11-31-36(13-19)3-5-38;26-21-2-1-17(9-18(21)10-27)22-13-29-23-24(32-22)36(34-33-23)15-20-14-35(7-8-37-20)25-30-11-19(12-31-25)16-3-5-28-6-4-16;26-9-17-2-1-3-18(8-17)22-13-27-23-24(31-22)36(33-32-23)16-21-15-34(5-7-38-21)25-28-10-19(11-29-25)20-12-30-35(14-20)4-6-37;1-34-12-18(10-30-34)17-8-28-24(29-9-17)35-4-5-37-19(13-35)14-36-23-22(32-33-36)27-11-21(31-23)15-2-3-20(25)16(6-15)7-26;1-33-13-19(11-29-33)18-9-27-24(28-10-18)34-5-6-36-20(14-34)15-35-23-22(31-32-35)26-12-21(30-23)17-4-2-3-16(7-17)8-25/h1-3,10,12-16,23-24,30H,4-9,17-18H2;1-2,7,9-13,20,38H,3-6,14-15H2;1-3,9,11-13,20,28H,4-8,14-15H2;1-3,8,10-14,21,37H,4-7,15-16H2;2-3,6,8-12,19H,4-5,13-14H2,1H3;2-4,7,9-13,20H,5-6,14-15H2,1H3/t24-;2*20-;21-;19-;20-/m000000/s1
InChIKeyHMWSUGWERTXIMM-XBABJRRXSA-N
MW3061.20 g/mol
LogP10.83
Rot. Bonds35

About 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile

2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile (PubChem CID 158526881) has the molecular formula C151H137F3N66O8 and a molecular weight of 3061.20 g/mol. Its IUPAC name is 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
PubChem CID158526881
Molecular FormulaC151H137F3N66O8
Molecular Weight3061.20 g/mol
Exact Mass3059.23
IUPAC Name2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
SMILESCn1cc(-c2cnc(N3CCO[C@H](Cn4nnc5ncc(-c6ccc(F)c(C#N)c6)nc54)C3)nc2)cn1.Cn1cc(-c2cnc(N3CCO[C@H](Cn4nnc5ncc(-c6cccc(C#N)c6)nc54)C3)nc2)cn1.N#Cc1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(CCO)c6)cn5)CCO4)c3n2)ccc1F.N#Cc1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(C6=CCNCC6)cn5)CCO4)c3n2)ccc1F.N#Cc1cccc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(C7CCNCC7)c6)cn5)CCO4)c3n2)c1.N#Cc1cccc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(CCO)c6)cn5)CCO4)c3n2)c1
InChIInChI=1S/C28H28N12O.C25H22FN11O2.C25H23FN10O.C25H23N11O2.C24H20FN11O.C24H21N11O/c29-11-19-2-1-3-20(10-19)25-15-31-26-27(35-25)40(37-36-26)18-24-17-38(8-9-41-24)28-32-12-21(13-33-28)22-14-34-39(16-22)23-4-6-30-7-5-23;26-21-2-1-16(7-17(21)8-27)22-12-28-23-24(32-22)37(34-33-23)15-20-14-35(4-6-39-20)25-29-9-18(10-30-25)19-11-31-36(13-19)3-5-38;26-21-2-1-17(9-18(21)10-27)22-13-29-23-24(32-22)36(34-33-23)15-20-14-35(7-8-37-20)25-30-11-19(12-31-25)16-3-5-28-6-4-16;26-9-17-2-1-3-18(8-17)22-13-27-23-24(31-22)36(33-32-23)16-21-15-34(5-7-38-21)25-28-10-19(11-29-25)20-12-30-35(14-20)4-6-37;1-34-12-18(10-30-34)17-8-28-24(29-9-17)35-4-5-37-19(13-35)14-36-23-22(32-33-36)27-11-21(31-23)15-2-3-20(25)16(6-15)7-26;1-33-13-19(11-29-33)18-9-27-24(28-10-18)34-5-6-36-20(14-34)15-35-23-22(31-32-35)26-12-21(30-23)17-4-2-3-16(7-17)8-25/h1-3,10,12-16,23-24,30H,4-9,17-18H2;1-2,7,9-13,20,38H,3-6,14-15H2;1-3,9,11-13,20,28H,4-8,14-15H2;1-3,8,10-14,21,37H,4-7,15-16H2;2-3,6,8-12,19H,4-5,13-14H2,1H3;2-4,7,9-13,20H,5-6,14-15H2,1H3/t24-;2*20-;21-;19-;20-/m000000/s1
InChIKeyHMWSUGWERTXIMM-XBABJRRXSA-N
XLogP10.83
TPSA864.80 Ų
H-Bond Donors4
H-Bond Acceptors74
Rotatable Bonds35
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003061.20
LogP ≤ 510.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1074

Analyze 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile with MolForge

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Related Compounds

2-Fluoro-5-[3-[[4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
CID 118364824
3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
CID 118364810
3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
CID 118370663
2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
CID 118370664
1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
N-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[[4-[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]-5-methylmorpholin-2-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-amine
CID 91421822
2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
CID 91667500
2-fluoro-5-[3-[[(2S)-4-[5-(2-methyl-1H-pyrazol-2-ium-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile
CID 123540489
4-[(dimethylamino)methyl]-3-[[4-[2-[2-[[2-fluoro-3-[[4-[2-[1-[[2-fluoro-3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]phenyl]methylamino]ethoxy]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzonitrile
CID 132035499
5-[1-[3-[7-[3-[1-(3,3-Difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoropyridin-2-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile
CID 137389998
3-[3-[2-[[2-(2,2-difluoroethyl)pyrazol-3-yl]amino]-6-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-4-yl]-5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
CID 155376547
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157305917

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile?
The IUPAC name of 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile (CID 158526881) is 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile is Cn1cc(-c2cnc(N3CCO[C@H](Cn4nnc5ncc(-c6ccc(F)c(C#N)c6)nc54)C3)nc2)cn1.Cn1cc(-c2cnc(N3CCO[C@H](Cn4nnc5ncc(-c6cccc(C#N)c6)nc54)C3)nc2)cn1.N#Cc1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(CCO)c6)cn5)CCO4)c3n2)ccc1F.N#Cc1cc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(C6=CCNCC6)cn5)CCO4)c3n2)ccc1F.N#Cc1cccc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(C7CCNCC7)c6)cn5)CCO4)c3n2)c1.N#Cc1cccc(-c2cnc3nnn(C[C@@H]4CN(c5ncc(-c6cnn(CCO)c6)cn5)CCO4)c3n2)c1.
What is the InChIKey of 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile?
The InChIKey is HMWSUGWERTXIMM-XBABJRRXSA-N. The full InChI is InChI=1S/C28H28N12O.C25H22FN11O2.C25H23FN10O.C25H23N11O2.C24H20FN11O.C24H21N11O/c29-11-19-2-1-3-20(10-19)25-15-31-26-27(35-25)40(37-36-26)18-24-17-38(8-9-41-24)28-32-12-21(13-33-28)22-14-34-39(16-22)23-4-6-30-7-5-23;26-21-2-1-16(7-17(21)8-27)22-12-28-23-24(32-22)37(34-33-23)15-20-14-35(4-6-39-20)25-29-9-18(10-30-25)19-11-31-36(13-19)3-5-38;26-21-2-1-17(9-18(21)10-27)22-13-29-23-24(32-22)36(34-33-23)15-20-14-35(7-8-37-20)25-30-11-19(12-31-25)16-3-5-28-6-4-16;26-9-17-2-1-3-18(8-17)22-13-27-23-24(31-22)36(33-32-23)16-21-15-34(5-7-38-21)25-28-10-19(11-29-25)20-12-30-35(14-20)4-6-37;1-34-12-18(10-30-34)17-8-28-24(29-9-17)35-4-5-37-19(13-35)14-36-23-22(32-33-36)27-11-21(31-23)15-2-3-20(25)16(6-15)7-26;1-33-13-19(11-29-33)18-9-27-24(28-10-18)34-5-6-36-20(14-34)15-35-23-22(31-32-35)26-12-21(30-23)17-4-2-3-16(7-17)8-25/h1-3,10,12-16,23-24,30H,4-9,17-18H2;1-2,7,9-13,20,38H,3-6,14-15H2;1-3,9,11-13,20,28H,4-8,14-15H2;1-3,8,10-14,21,37H,4-7,15-16H2;2-3,6,8-12,19H,4-5,13-14H2,1H3;2-4,7,9-13,20H,5-6,14-15H2,1H3/t24-;2*20-;21-;19-;20-/m000000/s1.
What are the key properties of 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile?
2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile has a molecular weight of 3061.20 g/mol, XLogP of 10.83, 35 rotatable bonds, 4 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;2-fluoro-5-[3-[[(2S)-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile;3-[3-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzonitrile is sourced from PubChem (CID 158526881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).