(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine

C13H13FN4O — CID 166777893

IUPAC(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine
SMILESC=C1CN(c2ncc(F)c3nccnc23)C[C@H](C)O1
InChIInChI=1S/C13H13FN4O/c1-8-6-18(7-9(2)19-8)13-12-11(10(14)5-17-13)15-3-4-16-12/h3-5,9H,1,6-7H2,2H3/t9-/m0/s1
InChIKeyKBUOGURTJQHGMS-VIFPVBQESA-N
MW260.27 g/mol
LogP1.90
Rot. Bonds1

About (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine

(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine (PubChem CID 166777893) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine.

Molecular Properties

Compound Name(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine
PubChem CID166777893
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine
SMILESC=C1CN(c2ncc(F)c3nccnc23)C[C@H](C)O1
InChIInChI=1S/C13H13FN4O/c1-8-6-18(7-9(2)19-8)13-12-11(10(14)5-17-13)15-3-4-16-12/h3-5,9H,1,6-7H2,2H3/t9-/m0/s1
InChIKeyKBUOGURTJQHGMS-VIFPVBQESA-N
XLogP1.90
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
The IUPAC name of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine (CID 166777893) is (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine.
What is the SMILES notation for (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
The canonical SMILES for (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine is C=C1CN(c2ncc(F)c3nccnc23)C[C@H](C)O1.
What is the InChIKey of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
The InChIKey is KBUOGURTJQHGMS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-6-18(7-9(2)19-8)13-12-11(10(14)5-17-13)15-3-4-16-12/h3-5,9H,1,6-7H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine?
(2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine has a molecular weight of 260.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2-methyl-6-methylidenemorpholine is sourced from PubChem (CID 166777893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).