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

C20H16F2N6O2 — CID 172606751

IUPAC(3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCc1ccnc(-c2[nH]c3c(F)cc(F)cc3c2-c2nnc(N[C@H]3CCNC3=O)o2)c1
InChIInChI=1S/C20H16F2N6O2/c1-9-2-4-23-14(6-9)17-15(11-7-10(21)8-12(22)16(11)26-17)19-27-28-20(30-19)25-13-3-5-24-18(13)29/h2,4,6-8,13,26H,3,5H2,1H3,(H,24,29)(H,25,28)/t13-/m0/s1
InChIKeyWIKNGMXMGMTKEC-ZDUSSCGKSA-N
MW410.38 g/mol
LogP3.17
Rot. Bonds4

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

(3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 172606751) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID172606751
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name(3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCc1ccnc(-c2[nH]c3c(F)cc(F)cc3c2-c2nnc(N[C@H]3CCNC3=O)o2)c1
InChIInChI=1S/C20H16F2N6O2/c1-9-2-4-23-14(6-9)17-15(11-7-10(21)8-12(22)16(11)26-17)19-27-28-20(30-19)25-13-3-5-24-18(13)29/h2,4,6-8,13,26H,3,5H2,1H3,(H,24,29)(H,25,28)/t13-/m0/s1
InChIKeyWIKNGMXMGMTKEC-ZDUSSCGKSA-N
XLogP3.17
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

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
3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 172606513
(3S)-3-[[5-[5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 172606766
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 172606758
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 172606577
2-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfinamide
CID 172606543
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one
CID 172606507
3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 172606786
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,3-oxazol-2-yl)cyclobutane-1-carboxamide
CID 156816115
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide
CID 172606532
5,7-difluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3789145
5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 166731297

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (CID 172606751) is (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is Cc1ccnc(-c2[nH]c3c(F)cc(F)cc3c2-c2nnc(N[C@H]3CCNC3=O)o2)c1.
What is the InChIKey of (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is WIKNGMXMGMTKEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-9-2-4-23-14(6-9)17-15(11-7-10(21)8-12(22)16(11)26-17)19-27-28-20(30-19)25-13-3-5-24-18(13)29/h2,4,6-8,13,26H,3,5H2,1H3,(H,24,29)(H,25,28)/t13-/m0/s1.
What are the key properties of (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
(3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 410.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-[5,7-difluoro-2-(4-methyl-2-pyridinyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 172606751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).