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

C23H26FN7O3 — CID 71113817

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 CID: 71113817
• Molecular Formula: C23H26FN7O3
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.21
• IUPAC Name: (2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
• SMILES: NC(=O)N1CCO[C@H](CNc2nc(-c3ccc(N4CCOCC4)c(F)c3)cc3nccnc23)C1
• InChI: 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
• InChIKey: CMIAZLYAGPZBQJ-MRXNPFEDSA-N
• XLogP: 1.86
• TPSA: 118.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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).