5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C23H25N7O2 — CID 42610854

IUPAC5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCOCc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cc1
InChIInChI=1S/C23H25N7O2/c1-31-15-16-2-4-17(5-3-16)20-13-29-22(30-23-14-26-18(9-24)10-28-23)8-21(20)27-12-19-11-25-6-7-32-19/h2-5,8,10,13-14,19,25H,6-7,11-12,15H2,1H3,(H2,27,28,29,30)/t19-/m1/s1
InChIKeyGKUXGLPKOVKCTR-LJQANCHMSA-N
MW431.50 g/mol
LogP2.70
Rot. Bonds8

About 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 42610854) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID42610854
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCOCc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cc1
InChIInChI=1S/C23H25N7O2/c1-31-15-16-2-4-17(5-3-16)20-13-29-22(30-23-14-26-18(9-24)10-28-23)8-21(20)27-12-19-11-25-6-7-32-19/h2-5,8,10,13-14,19,25H,6-7,11-12,15H2,1H3,(H2,27,28,29,30)/t19-/m1/s1
InChIKeyGKUXGLPKOVKCTR-LJQANCHMSA-N
XLogP2.70
TPSA117.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 42610854) is 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is COCc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)cc1.
What is the InChIKey of 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is GKUXGLPKOVKCTR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-31-15-16-2-4-17(5-3-16)20-13-29-22(30-23-14-26-18(9-24)10-28-23)8-21(20)27-12-19-11-25-6-7-32-19/h2-5,8,10,13-14,19,25H,6-7,11-12,15H2,1H3,(H2,27,28,29,30)/t19-/m1/s1.
What are the key properties of 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 431.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(methoxymethyl)phenyl]-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).