azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone

C105H125F11N38O8 — CID 159678068

IUPACazetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone
SMILESCCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)C4CC(OC)C4)C3)ncnc21.CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)C4CCCC4)C3)ncnc21.CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)N4CCC4)C3)ncnc21.CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21.CCn1c(C(F)F)nc2c(N[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21
InChIInChI=1S/C23H26F3N7O2.C23H26F3N7O.C21H23F3N8O.C21H27N9O2.C17H23F2N7O2/c1-3-33-20(13-4-5-17(27-10-13)23(24,25)26)31-18-19(28-12-29-21(18)33)30-15-6-7-32(11-15)22(34)14-8-16(9-14)35-2;1-2-33-20(15-7-8-17(27-11-15)23(24,25)26)31-18-19(28-13-29-21(18)33)30-16-9-10-32(12-16)22(34)14-5-3-4-6-14;1-2-32-18(13-4-5-15(25-10-13)21(22,23)24)29-16-17(26-12-27-19(16)32)28-14-6-9-31(11-14)20(33)30-7-3-8-30;1-4-30-19(14-7-22-13(2)23-8-14)27-17-18(24-12-25-20(17)30)26-15-5-6-28(9-15)21(31)29-10-16(11-29)32-3;1-3-26-15-12(23-16(26)13(18)19)14(20-9-21-15)22-10-4-5-24(6-10)17(27)25-7-11(8-25)28-2/h4-5,10,12,14-16H,3,6-9,11H2,1-2H3,(H,28,29,30);7-8,11,13-14,16H,2-6,9-10,12H2,1H3,(H,28,29,30);4-5,10,12,14H,2-3,6-9,11H2,1H3,(H,26,27,28);7-8,12,15-16H,4-6,9-11H2,1-3H3,(H,24,25,26);9-11,13H,3-8H2,1-2H3,(H,20,21,22)/t14?,15-,16?;16-;14-;15-;10-/m00000/s1
InChIKeyMUWBZJNQCPMXTR-KFOHKXHASA-N
MW2256.39 g/mol
LogP14.00
Rot. Bonds25

About azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone

azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone (PubChem CID 159678068) has the molecular formula C105H125F11N38O8 and a molecular weight of 2256.39 g/mol. Its IUPAC name is azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone
PubChem CID159678068
Molecular FormulaC105H125F11N38O8
Molecular Weight2256.39 g/mol
Exact Mass2255.04
IUPAC Nameazetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone
SMILESCCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)C4CC(OC)C4)C3)ncnc21.CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)C4CCCC4)C3)ncnc21.CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)N4CCC4)C3)ncnc21.CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21.CCn1c(C(F)F)nc2c(N[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21
InChIInChI=1S/C23H26F3N7O2.C23H26F3N7O.C21H23F3N8O.C21H27N9O2.C17H23F2N7O2/c1-3-33-20(13-4-5-17(27-10-13)23(24,25)26)31-18-19(28-12-29-21(18)33)30-15-6-7-32(11-15)22(34)14-8-16(9-14)35-2;1-2-33-20(15-7-8-17(27-11-15)23(24,25)26)31-18-19(28-13-29-21(18)33)30-16-9-10-32(12-16)22(34)14-5-3-4-6-14;1-2-32-18(13-4-5-15(25-10-13)21(22,23)24)29-16-17(26-12-27-19(16)32)28-14-6-9-31(11-14)20(33)30-7-3-8-30;1-4-30-19(14-7-22-13(2)23-8-14)27-17-18(24-12-25-20(17)30)26-15-5-6-28(9-15)21(31)29-10-16(11-29)32-3;1-3-26-15-12(23-16(26)13(18)19)14(20-9-21-15)22-10-4-5-24(6-10)17(27)25-7-11(8-25)28-2/h4-5,10,12,14-16H,3,6-9,11H2,1-2H3,(H,28,29,30);7-8,11,13-14,16H,2-6,9-10,12H2,1H3,(H,28,29,30);4-5,10,12,14H,2-3,6-9,11H2,1H3,(H,26,27,28);7-8,12,15-16H,4-6,9-11H2,1-3H3,(H,24,25,26);9-11,13H,3-8H2,1-2H3,(H,20,21,22)/t14?,15-,16?;16-;14-;15-;10-/m00000/s1
InChIKeyMUWBZJNQCPMXTR-KFOHKXHASA-N
XLogP14.00
TPSA481.56 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds25
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002256.39
LogP ≤ 514.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
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
9-[[3,5-Difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157615684
3-[4-(3,3-Dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2,2-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole
CID 157657491
2-[2-(diethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-pyrrolidin-1-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158064534
1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 158593024
4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(1,2,2,3,3-pentadeuteriocyclopropyl)but-3-yn-2-ol;4-[5-(2-amino-5-methylpyrimidin-4-yl)-7H-cyclopenta[c]pyridin-3-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-cyclobutylpyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoro-2-methylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-piperidin-4-ylbut-3-yn-2-ol;4-[3-(2-aminopyrimidin-4-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 158653200
2-[2-(azetidin-1-yl)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(3-fluoroazetidin-1-yl)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-morpholin-4-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158869369
2-[2-(cyclobutylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(cyclopropylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-ethoxyethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-methoxypropan-2-ylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159204501
6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2,4-dimethyl-1H-pyrrol-3-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 159328215
(1R,5S)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexane;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1R,5S)-6-[2-(2,2-dimethylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexane;1-[(1R,5S)-6-[2-ethyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;(1S,5R)-3-(2-fluoroethyl)-6-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-propylimidazol-1-yl]-3-azabicyclo[3.1.0]hexane;3-methyl-5-[1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
CID 159452919
2-[2-(cyclobutylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;N,N-dimethyl-2-[[3-[7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]-2-pyridinyl]amino]acetamide;2-[2-(2-ethoxyethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-methoxypropan-2-ylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159604929

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone?
The IUPAC name of azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone (CID 159678068) is azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone.
What is the SMILES notation for azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone?
The canonical SMILES for azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone is CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)C4CC(OC)C4)C3)ncnc21.CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)C4CCCC4)C3)ncnc21.CCn1c(-c2ccc(C(F)(F)F)nc2)nc2c(N[C@H]3CCN(C(=O)N4CCC4)C3)ncnc21.CCn1c(-c2cnc(C)nc2)nc2c(N[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21.CCn1c(C(F)F)nc2c(N[C@H]3CCN(C(=O)N4CC(OC)C4)C3)ncnc21.
What is the InChIKey of azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone?
The InChIKey is MUWBZJNQCPMXTR-KFOHKXHASA-N. The full InChI is InChI=1S/C23H26F3N7O2.C23H26F3N7O.C21H23F3N8O.C21H27N9O2.C17H23F2N7O2/c1-3-33-20(13-4-5-17(27-10-13)23(24,25)26)31-18-19(28-12-29-21(18)33)30-15-6-7-32(11-15)22(34)14-8-16(9-14)35-2;1-2-33-20(15-7-8-17(27-11-15)23(24,25)26)31-18-19(28-13-29-21(18)33)30-16-9-10-32(12-16)22(34)14-5-3-4-6-14;1-2-32-18(13-4-5-15(25-10-13)21(22,23)24)29-16-17(26-12-27-19(16)32)28-14-6-9-31(11-14)20(33)30-7-3-8-30;1-4-30-19(14-7-22-13(2)23-8-14)27-17-18(24-12-25-20(17)30)26-15-5-6-28(9-15)21(31)29-10-16(11-29)32-3;1-3-26-15-12(23-16(26)13(18)19)14(20-9-21-15)22-10-4-5-24(6-10)17(27)25-7-11(8-25)28-2/h4-5,10,12,14-16H,3,6-9,11H2,1-2H3,(H,28,29,30);7-8,11,13-14,16H,2-6,9-10,12H2,1H3,(H,28,29,30);4-5,10,12,14H,2-3,6-9,11H2,1H3,(H,26,27,28);7-8,12,15-16H,4-6,9-11H2,1-3H3,(H,24,25,26);9-11,13H,3-8H2,1-2H3,(H,20,21,22)/t14?,15-,16?;16-;14-;15-;10-/m00000/s1.
What are the key properties of azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone?
azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone has a molecular weight of 2256.39 g/mol, XLogP of 14.00, 25 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;cyclopentyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]methanone;[(3S)-3-[[8-(difluoromethyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxyazetidin-1-yl)methanone;[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-yl]amino]pyrrolidin-1-yl]-(3-methoxycyclobutyl)methanone is sourced from PubChem (CID 159678068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).