3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

C20H16F2N6O3 — CID 172606600

IUPAC3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1ccc(-c2[nH]c3c(F)cc(F)cc3c2-c2nnc(NC3CCNC3=O)o2)nc1
InChIInChI=1S/C20H16F2N6O3/c1-30-10-2-3-13(24-8-10)17-15(11-6-9(21)7-12(22)16(11)26-17)19-27-28-20(31-19)25-14-4-5-23-18(14)29/h2-3,6-8,14,26H,4-5H2,1H3,(H,23,29)(H,25,28)
InChIKeyIGBQORASGIOFMP-UHFFFAOYSA-N
MW426.38 g/mol
LogP2.87
Rot. Bonds5

About 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 172606600) has the molecular formula C20H16F2N6O3 and a molecular weight of 426.38 g/mol. Its IUPAC name is 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID172606600
Molecular FormulaC20H16F2N6O3
Molecular Weight426.38 g/mol
Exact Mass426.13
IUPAC Name3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1ccc(-c2[nH]c3c(F)cc(F)cc3c2-c2nnc(NC3CCNC3=O)o2)nc1
InChIInChI=1S/C20H16F2N6O3/c1-30-10-2-3-13(24-8-10)17-15(11-6-9(21)7-12(22)16(11)26-17)19-27-28-20(31-19)25-14-4-5-23-18(14)29/h2-3,6-8,14,26H,4-5H2,1H3,(H,23,29)(H,25,28)
InChIKeyIGBQORASGIOFMP-UHFFFAOYSA-N
XLogP2.87
TPSA117.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (CID 172606600) is 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is COc1ccc(-c2[nH]c3c(F)cc(F)cc3c2-c2nnc(NC3CCNC3=O)o2)nc1.
What is the InChIKey of 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is IGBQORASGIOFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O3/c1-30-10-2-3-13(24-8-10)17-15(11-6-9(21)7-12(22)16(11)26-17)19-27-28-20(31-19)25-14-4-5-23-18(14)29/h2-3,6-8,14,26H,4-5H2,1H3,(H,23,29)(H,25,28).
What are the key properties of 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 426.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5,7-difluoro-2-(5-methoxy-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 172606600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).