N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol

C124H115F21N28O8 — CID 165059465

IUPACN-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
SMILESCC[C@@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1COc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1COc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@H]1COc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.OC[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.OC[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C19H19F3N4.2C18H17F3N4O.C18H17F3N4.3C17H15F3N4O2/c1-2-11-7-8-12-5-3-4-6-13(12)16(11)26-18-14-9-15(19(20,21)22)25-17(14)23-10-24-18;2*19-18(20,21)14-7-13-16(24-14)22-9-23-17(13)25-15-11(8-26)6-5-10-3-1-2-4-12(10)15;1-10-6-7-11-4-2-3-5-12(11)15(10)25-17-13-8-14(18(19,20)21)24-16(13)22-9-23-17;3*1-25-12-7-26-11-5-3-2-4-9(11)14(12)24-16-10-6-13(17(18,19)20)23-15(10)21-8-22-16/h3-6,9-11,16H,2,7-8H2,1H3,(H2,23,24,25,26);2*1-4,7,9,11,15,26H,5-6,8H2,(H2,22,23,24,25);2-5,8-10,15H,6-7H2,1H3,(H2,22,23,24,25);3*2-6,8,12,14H,7H2,1H3,(H2,21,22,23,24)/t11-,16-;2*11-,15-;10-,15-;12-,14+;2*12-,14-/m1100110/s1
InChIKeyQYRUNNRRIKBKKT-FZBWEXGXSA-N
MW2524.43 g/mol
LogP27.80
Rot. Bonds20

About N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol

N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol (PubChem CID 165059465) has the molecular formula C124H115F21N28O8 and a molecular weight of 2524.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
PubChem CID165059465
Molecular FormulaC124H115F21N28O8
Molecular Weight2524.43 g/mol
Exact Mass2522.91
IUPAC NameN-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
SMILESCC[C@@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1COc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1COc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@H]1COc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.OC[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.OC[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C19H19F3N4.2C18H17F3N4O.C18H17F3N4.3C17H15F3N4O2/c1-2-11-7-8-12-5-3-4-6-13(12)16(11)26-18-14-9-15(19(20,21)22)25-17(14)23-10-24-18;2*19-18(20,21)14-7-13-16(24-14)22-9-23-17(13)25-15-11(8-26)6-5-10-3-1-2-4-12(10)15;1-10-6-7-11-4-2-3-5-12(11)15(10)25-17-13-8-14(18(19,20)21)24-16(13)22-9-23-17;3*1-25-12-7-26-11-5-3-2-4-9(11)14(12)24-16-10-6-13(17(18,19)20)23-15(10)21-8-22-16/h3-6,9-11,16H,2,7-8H2,1H3,(H2,23,24,25,26);2*1-4,7,9,11,15,26H,5-6,8H2,(H2,22,23,24,25);2-5,8-10,15H,6-7H2,1H3,(H2,22,23,24,25);3*2-6,8,12,14H,7H2,1H3,(H2,21,22,23,24)/t11-,16-;2*11-,15-;10-,15-;12-,14+;2*12-,14-/m1100110/s1
InChIKeyQYRUNNRRIKBKKT-FZBWEXGXSA-N
XLogP27.80
TPSA471.04 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002524.43
LogP ≤ 527.80
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Analyze N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The IUPAC name of N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol (CID 165059465) is N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol.
What is the SMILES notation for N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The canonical SMILES for N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol is CC[C@@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1COc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1COc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@H]1COc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.OC[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.OC[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.
What is the InChIKey of N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The InChIKey is QYRUNNRRIKBKKT-FZBWEXGXSA-N. The full InChI is InChI=1S/C19H19F3N4.2C18H17F3N4O.C18H17F3N4.3C17H15F3N4O2/c1-2-11-7-8-12-5-3-4-6-13(12)16(11)26-18-14-9-15(19(20,21)22)25-17(14)23-10-24-18;2*19-18(20,21)14-7-13-16(24-14)22-9-23-17(13)25-15-11(8-26)6-5-10-3-1-2-4-12(10)15;1-10-6-7-11-4-2-3-5-12(11)15(10)25-17-13-8-14(18(19,20)21)24-16(13)22-9-23-17;3*1-25-12-7-26-11-5-3-2-4-9(11)14(12)24-16-10-6-13(17(18,19)20)23-15(10)21-8-22-16/h3-6,9-11,16H,2,7-8H2,1H3,(H2,23,24,25,26);2*1-4,7,9,11,15,26H,5-6,8H2,(H2,22,23,24,25);2-5,8-10,15H,6-7H2,1H3,(H2,22,23,24,25);3*2-6,8,12,14H,7H2,1H3,(H2,21,22,23,24)/t11-,16-;2*11-,15-;10-,15-;12-,14+;2*12-,14-/m1100110/s1.
What are the key properties of N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol has a molecular weight of 2524.43 g/mol, XLogP of 27.80, 20 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4R)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3R,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3S,4S)-3-methoxy-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;[(1S,2R)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol;[(1R,2S)-1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 165059465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).