(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide

C23H26FN7O3 — CID 71113817

IUPAC(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
SMILESNC(=O)N1CCO[C@H](CNc2nc(-c3ccc(N4CCOCC4)c(F)c3)cc3nccnc23)C1
InChIInChI=1S/C23H26FN7O3/c24-17-11-15(1-2-20(17)30-5-8-33-9-6-30)18-12-19-21(27-4-3-26-19)22(29-18)28-13-16-14-31(23(25)32)7-10-34-16/h1-4,11-12,16H,5-10,13-14H2,(H2,25,32)(H,28,29)/t16-/m1/s1
InChIKeyCMIAZLYAGPZBQJ-MRXNPFEDSA-N
MW467.51 g/mol
LogP1.86
Rot. Bonds5

About (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide

(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide (PubChem CID 71113817) has the molecular formula C23H26FN7O3 and a molecular weight of 467.51 g/mol. Its IUPAC name is (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
PubChem CID71113817
Molecular FormulaC23H26FN7O3
Molecular Weight467.51 g/mol
Exact Mass467.21
IUPAC Name(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
SMILESNC(=O)N1CCO[C@H](CNc2nc(-c3ccc(N4CCOCC4)c(F)c3)cc3nccnc23)C1
InChIInChI=1S/C23H26FN7O3/c24-17-11-15(1-2-20(17)30-5-8-33-9-6-30)18-12-19-21(27-4-3-26-19)22(29-18)28-13-16-14-31(23(25)32)7-10-34-16/h1-4,11-12,16H,5-10,13-14H2,(H2,25,32)(H,28,29)/t16-/m1/s1
InChIKeyCMIAZLYAGPZBQJ-MRXNPFEDSA-N
XLogP1.86
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide (CID 71113817) is (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide is NC(=O)N1CCO[C@H](CNc2nc(-c3ccc(N4CCOCC4)c(F)c3)cc3nccnc23)C1.
What is the InChIKey of (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide?
The InChIKey is CMIAZLYAGPZBQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26FN7O3/c24-17-11-15(1-2-20(17)30-5-8-33-9-6-30)18-12-19-21(27-4-3-26-19)22(29-18)28-13-16-14-31(23(25)32)7-10-34-16/h1-4,11-12,16H,5-10,13-14H2,(H2,25,32)(H,28,29)/t16-/m1/s1.
What are the key properties of (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide?
(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 71113817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).