2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

C20H15F2N5O3 — CID 169192689

IUPAC2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2nc(N3CCc4cc(C=O)ccc43)no2)cnc1OC(CF)CF
InChIInChI=1S/C20H15F2N5O3/c21-7-16(8-22)29-18-14(9-23)6-15(10-24-18)19-25-20(26-30-19)27-4-3-13-5-12(11-28)1-2-17(13)27/h1-2,5-6,10-11,16H,3-4,7-8H2
InChIKeyGLXNLVLFJLXVRS-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.20
Rot. Bonds7

About 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 169192689) has the molecular formula C20H15F2N5O3 and a molecular weight of 411.37 g/mol. Its IUPAC name is 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
PubChem CID169192689
Molecular FormulaC20H15F2N5O3
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC Name2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2nc(N3CCc4cc(C=O)ccc43)no2)cnc1OC(CF)CF
InChIInChI=1S/C20H15F2N5O3/c21-7-16(8-22)29-18-14(9-23)6-15(10-24-18)19-25-20(26-30-19)27-4-3-13-5-12(11-28)1-2-17(13)27/h1-2,5-6,10-11,16H,3-4,7-8H2
InChIKeyGLXNLVLFJLXVRS-UHFFFAOYSA-N
XLogP3.20
TPSA105.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (CID 169192689) is 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is N#Cc1cc(-c2nc(N3CCc4cc(C=O)ccc43)no2)cnc1OC(CF)CF.
What is the InChIKey of 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is GLXNLVLFJLXVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3/c21-7-16(8-22)29-18-14(9-23)6-15(10-24-18)19-25-20(26-30-19)27-4-3-13-5-12(11-28)1-2-17(13)27/h1-2,5-6,10-11,16H,3-4,7-8H2.
What are the key properties of 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 411.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoropropan-2-yloxy)-5-[3-(5-formyl-2,3-dihydroindol-1-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 169192689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).