5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

C26H30N6O3 — CID 71295196

IUPAC5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H30N6O3/c27-17-22-15-20(1-2-25(22)35-24-4-11-33-12-5-24)21-3-6-28-26(16-21)30-23-18-29-32(19-23)8-7-31-9-13-34-14-10-31/h1-3,6,15-16,18-19,24H,4-5,7-14H2,(H,28,30)
InChIKeyDGEFLIVVPLYQKC-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.45
Rot. Bonds8

About 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 71295196) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID71295196
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C26H30N6O3/c27-17-22-15-20(1-2-25(22)35-24-4-11-33-12-5-24)21-3-6-28-26(16-21)30-23-18-29-32(19-23)8-7-31-9-13-34-14-10-31/h1-3,6,15-16,18-19,24H,4-5,7-14H2,(H,28,30)
InChIKeyDGEFLIVVPLYQKC-UHFFFAOYSA-N
XLogP3.45
TPSA97.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (CID 71295196) is 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)c2)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is DGEFLIVVPLYQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c27-17-22-15-20(1-2-25(22)35-24-4-11-33-12-5-24)21-3-6-28-26(16-21)30-23-18-29-32(19-23)8-7-31-9-13-34-14-10-31/h1-3,6,15-16,18-19,24H,4-5,7-14H2,(H,28,30).
What are the key properties of 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 474.57 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 71295196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).