(2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine

C18H26N6O — CID 129240999

IUPAC(2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine
SMILESC[C@@H]1CN(c2ccnc3nccnc23)C[C@H](CN2CCN(C)CC2)O1
InChIInChI=1S/C18H26N6O/c1-14-11-24(16-3-4-20-18-17(16)19-5-6-21-18)13-15(25-14)12-23-9-7-22(2)8-10-23/h3-6,14-15H,7-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyGAQQPHSKJXIYEN-CABCVRRESA-N
MW342.45 g/mol
LogP0.87
Rot. Bonds3

About (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine

(2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine (PubChem CID 129240999) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine
PubChem CID129240999
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine
SMILESC[C@@H]1CN(c2ccnc3nccnc23)C[C@H](CN2CCN(C)CC2)O1
InChIInChI=1S/C18H26N6O/c1-14-11-24(16-3-4-20-18-17(16)19-5-6-21-18)13-15(25-14)12-23-9-7-22(2)8-10-23/h3-6,14-15H,7-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyGAQQPHSKJXIYEN-CABCVRRESA-N
XLogP0.87
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine?
The IUPAC name of (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine (CID 129240999) is (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine.
What is the SMILES notation for (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine?
The canonical SMILES for (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine is C[C@@H]1CN(c2ccnc3nccnc23)C[C@H](CN2CCN(C)CC2)O1.
What is the InChIKey of (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine?
The InChIKey is GAQQPHSKJXIYEN-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-11-24(16-3-4-20-18-17(16)19-5-6-21-18)13-15(25-14)12-23-9-7-22(2)8-10-23/h3-6,14-15H,7-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine?
(2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine has a molecular weight of 342.45 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-pyrido[2,3-b]pyrazin-8-ylmorpholine is sourced from PubChem (CID 129240999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).