tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride

C69H98ClN17O10S — CID 159650365

About tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride

tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride (PubChem CID 159650365) has the molecular formula C69H98ClN17O10S and a molecular weight of 1393.17 g/mol. Its IUPAC name is tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride
• PubChem CID: 159650365
• Molecular Formula: C69H98ClN17O10S
• Molecular Weight: 1393.17 g/mol
• Exact Mass: 1391.71
• IUPAC Name: tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCNCC1.C[C@@H]1CN(c2ccnc3nccnc23)C[C@H](CN2CCCCC2)O1.C[C@@H]1CN(c2ccnc3nccnc23)C[C@H](CN2CCN(C(=O)OC(C)(C)C)CC2)O1.Cc1ccc(S(=O)(=O)OC[C@H]2CN(c3ccnc4nccnc34)C[C@@H](C)O2)cc1.Cl
• InChI: InChI=1S/C22H32N6O3.C20H22N4O4S.C18H25N5O.C9H18N2O2.ClH/c1-16-13-28(18-5-6-24-20-19(18)23-7-8-25-20)15-17(30-16)14-26-9-11-27(12-10-26)21(29)31-22(2,3)4;1-14-3-5-17(6-4-14)29(25,26)27-13-16-12-24(11-15(2)28-16)18-7-8-22-20-19(18)21-9-10-23-20;1-14-11-23(13-15(24-14)12-22-9-3-2-4-10-22)16-5-6-20-18-17(16)19-7-8-21-18;1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h5-8,16-17H,9-15H2,1-4H3;3-10,15-16H,11-13H2,1-2H3;5-8,14-15H,2-4,9-13H2,1H3;10H,4-7H2,1-3H3;1H/t16-,17+;15-,16-;14-,15+;;/m111../s1
• InChIKey: VXVIRIKOKWVOKR-SBYYZJDCSA-N
• XLogP: 7.86
• TPSA: 274.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.17
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride?

The IUPAC name of tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride (CID 159650365) is tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride.

What is the SMILES notation for tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride?

The canonical SMILES for tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride is CC(C)(C)OC(=O)N1CCNCC1.C[C@@H]1CN(c2ccnc3nccnc23)C[C@H](CN2CCCCC2)O1.C[C@@H]1CN(c2ccnc3nccnc23)C[C@H](CN2CCN(C(=O)OC(C)(C)C)CC2)O1.Cc1ccc(S(=O)(=O)OC[C@H]2CN(c3ccnc4nccnc34)C[C@@H](C)O2)cc1.Cl.

What is the InChIKey of tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride?

The InChIKey is VXVIRIKOKWVOKR-SBYYZJDCSA-N. The full InChI is InChI=1S/C22H32N6O3.C20H22N4O4S.C18H25N5O.C9H18N2O2.ClH/c1-16-13-28(18-5-6-24-20-19(18)23-7-8-25-20)15-17(30-16)14-26-9-11-27(12-10-26)21(29)31-22(2,3)4;1-14-3-5-17(6-4-14)29(25,26)27-13-16-12-24(11-15(2)28-16)18-7-8-22-20-19(18)21-9-10-23-20;1-14-11-23(13-15(24-14)12-22-9-3-2-4-10-22)16-5-6-20-18-17(16)19-7-8-21-18;1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h5-8,16-17H,9-15H2,1-4H3;3-10,15-16H,11-13H2,1-2H3;5-8,14-15H,2-4,9-13H2,1H3;10H,4-7H2,1-3H3;1H/t16-,17+;15-,16-;14-,15+;;/m111../s1.

What are the key properties of tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride?

tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride has a molecular weight of 1393.17 g/mol, XLogP of 7.86, 11 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[(2S,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(2R,6S)-2-methyl-6-(piperidin-1-ylmethyl)-4-pyrido[2,3-b]pyrazin-8-ylmorpholine;[(2R,6R)-6-methyl-4-pyrido[2,3-b]pyrazin-8-ylmorpholin-2-yl]methyl 4-methylbenzenesulfonate;hydrochloride is sourced from PubChem (CID 159650365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).