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

C128H124F18N28O2 — CID 165046511

IUPAC6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC[C@@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.c1ccc2c(c1)CCC[C@H]2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C19H19F3N4.C19H20N4.2C18H17F3N4O.3C18H17F3N4/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;1-2-6-14-12(4-1)5-3-7-16(14)22-18-15-10-17(13-8-9-13)23-19(15)21-11-20-18;2*1-26-13-7-6-10-4-2-3-5-11(10)15(13)25-17-12-8-14(18(19,20)21)24-16(12)22-9-23-17;3*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/h3-6,9-11,16H,2,7-8H2,1H3,(H2,23,24,25,26);1-2,4,6,10-11,13,16H,3,5,7-9H2,(H2,20,21,22,23);2*2-5,8-9,13,15H,6-7H2,1H3,(H2,22,23,24,25);3*2-5,8-10,15H,6-7H2,1H3,(H2,22,23,24,25)/t11-,16-;16-;2*13-,15-;2*10-,15+;10-,15-/m1110100/s1
InChIKeyOZIWKURKVLFUPA-AOVVMONMSA-N
MW2428.56 g/mol
LogP31.75
Rot. Bonds18

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

6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165046511) has the molecular formula C128H124F18N28O2 and a molecular weight of 2428.56 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID165046511
Molecular FormulaC128H124F18N28O2
Molecular Weight2428.56 g/mol
Exact Mass2427.02
IUPAC Name6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC[C@@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.c1ccc2c(c1)CCC[C@H]2Nc1ncnc2[nH]c(C3CC3)cc12
InChIInChI=1S/C19H19F3N4.C19H20N4.2C18H17F3N4O.3C18H17F3N4/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;1-2-6-14-12(4-1)5-3-7-16(14)22-18-15-10-17(13-8-9-13)23-19(15)21-11-20-18;2*1-26-13-7-6-10-4-2-3-5-11(10)15(13)25-17-12-8-14(18(19,20)21)24-16(12)22-9-23-17;3*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/h3-6,9-11,16H,2,7-8H2,1H3,(H2,23,24,25,26);1-2,4,6,10-11,13,16H,3,5,7-9H2,(H2,20,21,22,23);2*2-5,8-9,13,15H,6-7H2,1H3,(H2,22,23,24,25);3*2-5,8-10,15H,6-7H2,1H3,(H2,22,23,24,25)/t11-,16-;16-;2*13-,15-;2*10-,15+;10-,15-/m1110100/s1
InChIKeyOZIWKURKVLFUPA-AOVVMONMSA-N
XLogP31.75
TPSA393.66 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002428.56
LogP ≤ 531.75
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165046511) is 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC[C@@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.CO[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.C[C@H]1CCc2ccccc2[C@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.c1ccc2c(c1)CCC[C@H]2Nc1ncnc2[nH]c(C3CC3)cc12.
What is the InChIKey of 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OZIWKURKVLFUPA-AOVVMONMSA-N. The full InChI is InChI=1S/C19H19F3N4.C19H20N4.2C18H17F3N4O.3C18H17F3N4/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;1-2-6-14-12(4-1)5-3-7-16(14)22-18-15-10-17(13-8-9-13)23-19(15)21-11-20-18;2*1-26-13-7-6-10-4-2-3-5-11(10)15(13)25-17-12-8-14(18(19,20)21)24-16(12)22-9-23-17;3*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/h3-6,9-11,16H,2,7-8H2,1H3,(H2,23,24,25,26);1-2,4,6,10-11,13,16H,3,5,7-9H2,(H2,20,21,22,23);2*2-5,8-9,13,15H,6-7H2,1H3,(H2,22,23,24,25);3*2-5,8-10,15H,6-7H2,1H3,(H2,22,23,24,25)/t11-,16-;16-;2*13-,15-;2*10-,15+;10-,15-/m1110100/s1.
What are the key properties of 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2428.56 g/mol, XLogP of 31.75, 18 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1S,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-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;N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165046511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).