1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane

C104H141F6N27O5 — CID 159193835

About 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane

1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane (PubChem CID 159193835) has the molecular formula C104H141F6N27O5 and a molecular weight of 1963.44 g/mol. Its IUPAC name is 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane.

Molecular Properties

• Compound Name: 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane
• PubChem CID: 159193835
• Molecular Formula: C104H141F6N27O5
• Molecular Weight: 1963.44 g/mol
• Exact Mass: 1962.15
• IUPAC Name: 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane
• SMILES: C.C/C=C/C(=O)N1C[C@H](Nc2ncnc3[nH]cc([C@@H]4CC4(C)F)c23)CC[C@@H]1C.C/C=C/C(=O)N1C[C@H](Nc2ncnc3[nH]cc([C@H]4CC4(C)F)c23)CC[C@@H]1C.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc([C@H]4[C@@H](C)C4(F)F)c23)CC[C@@H]1C.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C4CC4(C)F)c23)CN1C(=O)/C=C/CN(C)C.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc([C@H]4CC4(C)F)c23)CN1C(=O)/C=C/CN(C)C
• InChI: InChI=1S/2C22H31FN6O.2C20H26FN5O.C19H23F2N5O.CH4/c2*1-14-7-8-15(12-29(14)18(30)6-5-9-28(3)4)27-21-19-16(17-10-22(17,2)23)11-24-20(19)25-13-26-21;2*1-4-5-16(27)26-10-13(7-6-12(26)2)25-19-17-14(15-8-20(15,3)21)9-22-18(17)23-11-24-19;1-4-14(27)26-8-12(6-5-10(26)2)25-18-15-13(16-11(3)19(16,20)21)7-22-17(15)23-9-24-18;/h2*5-6,11,13-15,17H,7-10,12H2,1-4H3,(H2,24,25,26,27);2*4-5,9,11-13,15H,6-8,10H2,1-3H3,(H2,22,23,24,25);4,7,9-12,16H,1,5-6,8H2,2-3H3,(H2,22,23,24,25);1H4/b2*6-5+;2*5-4+;;/t14-,15+,17?,22?;14-,15+,17+,22?;12-,13+,15+,20?;12-,13+,15-,20?;10-,11+,12+,16+;/m00000./s1
• InChIKey: KOKLUZJHPRYRFX-MJEMVEDTSA-N
• XLogP: 17.19
• TPSA: 376.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1963.44
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane?

The IUPAC name of 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane (CID 159193835) is 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane.

What is the SMILES notation for 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane?

The canonical SMILES for 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane is C.C/C=C/C(=O)N1C[C@H](Nc2ncnc3[nH]cc([C@@H]4CC4(C)F)c23)CC[C@@H]1C.C/C=C/C(=O)N1C[C@H](Nc2ncnc3[nH]cc([C@H]4CC4(C)F)c23)CC[C@@H]1C.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc([C@H]4[C@@H](C)C4(F)F)c23)CC[C@@H]1C.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C4CC4(C)F)c23)CN1C(=O)/C=C/CN(C)C.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc([C@H]4CC4(C)F)c23)CN1C(=O)/C=C/CN(C)C.

What is the InChIKey of 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane?

The InChIKey is KOKLUZJHPRYRFX-MJEMVEDTSA-N. The full InChI is InChI=1S/2C22H31FN6O.2C20H26FN5O.C19H23F2N5O.CH4/c2*1-14-7-8-15(12-29(14)18(30)6-5-9-28(3)4)27-21-19-16(17-10-22(17,2)23)11-24-20(19)25-13-26-21;2*1-4-5-16(27)26-10-13(7-6-12(26)2)25-19-17-14(15-8-20(15,3)21)9-22-18(17)23-11-24-19;1-4-14(27)26-8-12(6-5-10(26)2)25-18-15-13(16-11(3)19(16,20)21)7-22-17(15)23-9-24-18;/h2*5-6,11,13-15,17H,7-10,12H2,1-4H3,(H2,24,25,26,27);2*4-5,9,11-13,15H,6-8,10H2,1-3H3,(H2,22,23,24,25);4,7,9-12,16H,1,5-6,8H2,2-3H3,(H2,22,23,24,25);1H4/b2*6-5+;2*5-4+;;/t14-,15+,17?,22?;14-,15+,17+,22?;12-,13+,15+,20?;12-,13+,15-,20?;10-,11+,12+,16+;/m00000./s1.

What are the key properties of 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane?

1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane has a molecular weight of 1963.44 g/mol, XLogP of 17.19, 24 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,5R)-5-[[5-[(1R,3R)-2,2-difluoro-3-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-4-(dimethylamino)-1-[(2S,5R)-5-[[5-(2-fluoro-2-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1S)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;(E)-1-[(2S,5R)-5-[[5-[(1R)-2-fluoro-2-methylcyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one;methane is sourced from PubChem (CID 159193835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).