[1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C105H128F5N47O10 — CID 158213943

About [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 158213943) has the molecular formula C105H128F5N47O10 and a molecular weight of 2303.49 g/mol. Its IUPAC name is [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 158213943
• Molecular Formula: C105H128F5N47O10
• Molecular Weight: 2303.49 g/mol
• Exact Mass: 2302.09
• IUPAC Name: [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
• SMILES: NC(=O)[C@@H]1CCCN1c1cc(-n2nc(N)nc2Nc2ccc(N3CCOCC3)cc2F)ncn1.NC(=O)[C@H]1CCCN1c1cc(-n2nc(N)nc2Nc2ccc(N3CCOCC3)cc2F)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)n(-c2cc(N3CCC(CO)CC3)ncn2)n1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)n(-c2cc(N3CCC[C@@H]3CO)ncn2)n1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)n(-c2cc(N3CC[C@H](O)C3)ncn2)n1
• InChI: InChI=1S/C22H28FN9O2.2C21H25FN10O2.C21H26FN9O2.C20H24FN9O2/c23-17-11-16(30-7-9-34-10-8-30)1-2-18(17)27-22-28-21(24)29-32(22)20-12-19(25-14-26-20)31-5-3-15(13-33)4-6-31;2*22-14-10-13(30-6-8-34-9-7-30)3-4-15(14)27-21-28-20(24)29-32(21)18-11-17(25-12-26-18)31-5-1-2-16(31)19(23)33;22-16-10-14(29-6-8-33-9-7-29)3-4-17(16)26-21-27-20(23)28-31(21)19-11-18(24-13-25-19)30-5-1-2-15(30)12-32;21-15-9-13(28-5-7-32-8-6-28)1-2-16(15)25-20-26-19(22)27-30(20)18-10-17(23-12-24-18)29-4-3-14(31)11-29/h1-2,11-12,14-15,33H,3-10,13H2,(H3,24,27,28,29);2*3-4,10-12,16H,1-2,5-9H2,(H2,23,33)(H3,24,27,28,29);3-4,10-11,13,15,32H,1-2,5-9,12H2,(H3,23,26,27,28);1-2,9-10,12,14,31H,3-8,11H2,(H3,22,25,26,27)/t;2*16-;15-;14-/m.1010/s1
• InChIKey: GCKIDNJZLQKWHM-FBKYLOGZSA-N
• XLogP: 5.44
• TPSA: 698.12 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 55
• Rotatable Bonds: 29
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.49
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 158213943) is [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is NC(=O)[C@@H]1CCCN1c1cc(-n2nc(N)nc2Nc2ccc(N3CCOCC3)cc2F)ncn1.NC(=O)[C@H]1CCCN1c1cc(-n2nc(N)nc2Nc2ccc(N3CCOCC3)cc2F)ncn1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)n(-c2cc(N3CCC(CO)CC3)ncn2)n1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)n(-c2cc(N3CCC[C@@H]3CO)ncn2)n1.Nc1nc(Nc2ccc(N3CCOCC3)cc2F)n(-c2cc(N3CC[C@H](O)C3)ncn2)n1.

What is the InChIKey of [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The InChIKey is GCKIDNJZLQKWHM-FBKYLOGZSA-N. The full InChI is InChI=1S/C22H28FN9O2.2C21H25FN10O2.C21H26FN9O2.C20H24FN9O2/c23-17-11-16(30-7-9-34-10-8-30)1-2-18(17)27-22-28-21(24)29-32(22)20-12-19(25-14-26-20)31-5-3-15(13-33)4-6-31;2*22-14-10-13(30-6-8-34-9-7-30)3-4-15(14)27-21-28-20(24)29-32(21)18-11-17(25-12-26-18)31-5-1-2-16(31)19(23)33;22-16-10-14(29-6-8-33-9-7-29)3-4-17(16)26-21-27-20(23)28-31(21)19-11-18(24-13-25-19)30-5-1-2-15(30)12-32;21-15-9-13(28-5-7-32-8-6-28)1-2-16(15)25-20-26-19(22)27-30(20)18-10-17(23-12-24-18)29-4-3-14(31)11-29/h1-2,11-12,14-15,33H,3-10,13H2,(H3,24,27,28,29);2*3-4,10-12,16H,1-2,5-9H2,(H2,23,33)(H3,24,27,28,29);3-4,10-11,13,15,32H,1-2,5-9,12H2,(H3,23,26,27,28);1-2,9-10,12,14,31H,3-8,11H2,(H3,22,25,26,27)/t;2*16-;15-;14-/m.1010/s1.

What are the key properties of [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

[1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 2303.49 g/mol, XLogP of 5.44, 29 rotatable bonds, 15 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperidin-4-yl]methanol;(2S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidine-2-carboxamide;(3S)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;[(2R)-1-[6-[3-amino-5-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 158213943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).