5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

C25H26N6O3 — CID 71295086

IUPAC5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)nn3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C25H26N6O3/c26-17-20-15-18(1-2-22(20)34-21-6-11-32-12-7-21)19-5-8-27-24(16-19)28-23-3-4-25(30-29-23)31-9-13-33-14-10-31/h1-5,8,15-16,21H,6-7,9-14H2,(H,27,28,29)
InChIKeyOUTINXWZDNJANR-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.55
Rot. Bonds6

About 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 71295086) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID71295086
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)nn3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C25H26N6O3/c26-17-20-15-18(1-2-22(20)34-21-6-11-32-12-7-21)19-5-8-27-24(16-19)28-23-3-4-25(30-29-23)31-9-13-33-14-10-31/h1-5,8,15-16,21H,6-7,9-14H2,(H,27,28,29)
InChIKeyOUTINXWZDNJANR-UHFFFAOYSA-N
XLogP3.55
TPSA105.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (CID 71295086) is 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)nn3)c2)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is OUTINXWZDNJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c26-17-20-15-18(1-2-22(20)34-21-6-11-32-12-7-21)19-5-8-27-24(16-19)28-23-3-4-25(30-29-23)31-9-13-33-14-10-31/h1-5,8,15-16,21H,6-7,9-14H2,(H,27,28,29).
What are the key properties of 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 458.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6-morpholin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 71295086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).