5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

C26H25N5O3 — CID 71295420

IUPAC5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cncc(C4=CCCCO4)n3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H25N5O3/c27-15-20-13-18(4-5-23(20)34-21-7-11-32-12-8-21)19-6-9-29-25(14-19)31-26-17-28-16-22(30-26)24-3-1-2-10-33-24/h3-6,9,13-14,16-17,21H,1-2,7-8,10-12H2,(H,29,30,31)
InChIKeyHIONSSOVORAGDX-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.86
Rot. Bonds6

About 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 71295420) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID71295420
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cncc(C4=CCCCO4)n3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H25N5O3/c27-15-20-13-18(4-5-23(20)34-21-7-11-32-12-8-21)19-6-9-29-25(14-19)31-26-17-28-16-22(30-26)24-3-1-2-10-33-24/h3-6,9,13-14,16-17,21H,1-2,7-8,10-12H2,(H,29,30,31)
InChIKeyHIONSSOVORAGDX-UHFFFAOYSA-N
XLogP4.86
TPSA102.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (CID 71295420) is 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc(Nc3cncc(C4=CCCCO4)n3)c2)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is HIONSSOVORAGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c27-15-20-13-18(4-5-23(20)34-21-7-11-32-12-8-21)19-6-9-29-25(14-19)31-26-17-28-16-22(30-26)24-3-1-2-10-33-24/h3-6,9,13-14,16-17,21H,1-2,7-8,10-12H2,(H,29,30,31).
What are the key properties of 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 455.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[6-(3,4-dihydro-2H-pyran-6-yl)pyrazin-2-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 71295420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).