(2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide

C17H18ClFN4O3 — CID 146526322

IUPAC(2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3F)cn2)CCO1
InChIInChI=1S/C17H18ClFN4O3/c1-20-17(24)15-10-23(4-5-25-15)9-12-7-22-16(8-21-12)26-14-3-2-11(18)6-13(14)19/h2-3,6-8,15H,4-5,9-10H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyVXFCOQUXMISHMO-HNNXBMFYSA-N
MW380.81 g/mol
LogP2.01
Rot. Bonds5

About (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide

(2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 146526322) has the molecular formula C17H18ClFN4O3 and a molecular weight of 380.81 g/mol. Its IUPAC name is (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID146526322
Molecular FormulaC17H18ClFN4O3
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC Name(2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3F)cn2)CCO1
InChIInChI=1S/C17H18ClFN4O3/c1-20-17(24)15-10-23(4-5-25-15)9-12-7-22-16(8-21-12)26-14-3-2-11(18)6-13(14)19/h2-3,6-8,15H,4-5,9-10H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyVXFCOQUXMISHMO-HNNXBMFYSA-N
XLogP2.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide with MolForge

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Related Compounds

4-((5-(2-Fluoro-4-methylphenoxy)pyrazin-2-YL)methyl)-N-methylmorpholine-2-carboxamide, (2S)-
CID 146526316
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
2-[[1-[[5-(4-Chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73052072
US11166958, Example 30
CID 146526237
US11166958, Example 36
CID 146526251
US11166958, Example 35
CID 146526307
US11166958, Example 31
CID 146526328
US11166958, Example 1
CID 146526330
US11166958, Example 6
CID 146526461
US11166958, Example 9
CID 146526467
US11166958, Example 8
CID 146526468

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 146526322) is (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(Cl)cc3F)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is VXFCOQUXMISHMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClFN4O3/c1-20-17(24)15-10-23(4-5-25-15)9-12-7-22-16(8-21-12)26-14-3-2-11(18)6-13(14)19/h2-3,6-8,15H,4-5,9-10H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(4-chloro-2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146526322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).