2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile

C26H27N5O3 — CID 71295120

IUPAC2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnc(C4CCOCC4)cn3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)
InChIKeyJSWCKNMMDIGGRJ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.61
Rot. Bonds6

About 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile

2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile (PubChem CID 71295120) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile
PubChem CID71295120
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnc(C4CCOCC4)cn3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)
InChIKeyJSWCKNMMDIGGRJ-UHFFFAOYSA-N
XLogP4.61
TPSA102.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

IKK epsilon-IN-1
CID 51049969
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(S)-5-(5-(4-Methoxyphenyl)-4-(morpholin-2-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
CID 59613380
2-(Oxan-4-yloxy)-5-[2-[(4-piperidin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile
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CID 11336477
4-Methoxy-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]benzonitrile
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Tnik-IN-7
CID 71540728
4-[[2-Methoxy-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 134141554
1-[4-[2-Methyl-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137635955
1-[4-[2,6-Difluoro-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137638144
1-[4-[2,5-Difluoro-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137648752
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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile (CID 71295120) is 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile is N#Cc1cc(-c2ccnc(Nc3cnc(C4CCOCC4)cn3)c2)ccc1OC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile?
The InChIKey is JSWCKNMMDIGGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31).
What are the key properties of 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile?
2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile has a molecular weight of 457.53 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)-5-[2-[[5-(oxan-4-yl)pyrazin-2-yl]amino]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 71295120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).