5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C22H23N7O2 — CID 59613380

IUPAC5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCOc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@@H]2CNCCO2)cc1
InChIInChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m0/s1
InChIKeyWFWOXOUEEDYSLF-SFHVURJKSA-N
MW417.47 g/mol
LogP2.56
Rot. Bonds7

About 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 59613380) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID59613380
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCOc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@@H]2CNCCO2)cc1
InChIInChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m0/s1
InChIKeyWFWOXOUEEDYSLF-SFHVURJKSA-N
XLogP2.56
TPSA117.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 59613380) is 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is COc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@@H]2CNCCO2)cc1.
What is the InChIKey of 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is WFWOXOUEEDYSLF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m0/s1.
What are the key properties of 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 417.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-methoxyphenyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 59613380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).