5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C21H19F2N7O — CID 162674436

About 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 162674436) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
• PubChem CID: 162674436
• Molecular Formula: C21H19F2N7O
• Molecular Weight: 423.43 g/mol
• Exact Mass: 423.16
• IUPAC Name: 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
• SMILES: N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3cc(F)cc(F)c3)cn2)cn1
• InChI: InChI=1S/C21H19F2N7O/c22-14-3-13(4-15(23)5-14)18-11-29-20(30-21-12-26-16(7-24)8-28-21)6-19(18)27-10-17-9-25-1-2-31-17/h3-6,8,11-12,17,25H,1-2,9-10H2,(H2,27,28,29,30)/t17-/m1/s1
• InChIKey: ROOGMAGZWKFKAL-QGZVFWFLSA-N
• XLogP: 2.83
• TPSA: 107.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.43
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 162674436) is 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NC[C@H]3CNCCO3)c(-c3cc(F)cc(F)c3)cn2)cn1.

What is the InChIKey of 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The InChIKey is ROOGMAGZWKFKAL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19F2N7O/c22-14-3-13(4-15(23)5-14)18-11-29-20(30-21-12-26-16(7-24)8-28-21)6-19(18)27-10-17-9-25-1-2-31-17/h3-6,8,11-12,17,25H,1-2,9-10H2,(H2,27,28,29,30)/t17-/m1/s1.

What are the key properties of 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?

5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 423.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(3,5-difluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 162674436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).