2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile

C24H20N4O2 — CID 118537469

IUPAC2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4cccnc4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C24H20N4O2/c25-14-18-12-16(3-4-23(18)30-19-6-10-29-11-7-19)20-5-9-27-24-21(20)13-22(28-24)17-2-1-8-26-15-17/h1-5,8-9,12-13,15,19H,6-7,10-11H2,(H,27,28)
InChIKeyFFZYTQWANYSENM-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.72
Rot. Bonds4

About 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile

2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile (PubChem CID 118537469) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
PubChem CID118537469
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4cccnc4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C24H20N4O2/c25-14-18-12-16(3-4-23(18)30-19-6-10-29-11-7-19)20-5-9-27-24-21(20)13-22(28-24)17-2-1-8-26-15-17/h1-5,8-9,12-13,15,19H,6-7,10-11H2,(H,27,28)
InChIKeyFFZYTQWANYSENM-UHFFFAOYSA-N
XLogP4.72
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The IUPAC name of 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile (CID 118537469) is 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile.
What is the SMILES notation for 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The canonical SMILES for 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile is N#Cc1cc(-c2ccnc3[nH]c(-c4cccnc4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The InChIKey is FFZYTQWANYSENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-14-18-12-16(3-4-23(18)30-19-6-10-29-11-7-19)20-5-9-27-24-21(20)13-22(28-24)17-2-1-8-26-15-17/h1-5,8-9,12-13,15,19H,6-7,10-11H2,(H,27,28).
What are the key properties of 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile has a molecular weight of 396.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile is sourced from PubChem (CID 118537469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).