4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane

C20H24FN5O2 — CID 144761812

IUPAC4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane
SMILESCC.Cc1ccc(Nc2c(-c3nnc(N)o3)c3c(c(=O)n2C)CCC3)c(F)c1
InChIInChI=1S/C18H18FN5O2.C2H6/c1-9-6-7-13(12(19)8-9)21-15-14(16-22-23-18(20)26-16)10-4-3-5-11(10)17(25)24(15)2;1-2/h6-8,21H,3-5H2,1-2H3,(H2,20,23);1-2H3
InChIKeyBTYZRMVCDDGEBZ-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.72
Rot. Bonds3

About 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane

4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane (PubChem CID 144761812) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane.

Molecular Properties

Compound Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane
PubChem CID144761812
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane
SMILESCC.Cc1ccc(Nc2c(-c3nnc(N)o3)c3c(c(=O)n2C)CCC3)c(F)c1
InChIInChI=1S/C18H18FN5O2.C2H6/c1-9-6-7-13(12(19)8-9)21-15-14(16-22-23-18(20)26-16)10-4-3-5-11(10)17(25)24(15)2;1-2/h6-8,21H,3-5H2,1-2H3,(H2,20,23);1-2H3
InChIKeyBTYZRMVCDDGEBZ-UHFFFAOYSA-N
XLogP3.72
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane with MolForge

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Related Compounds

4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
CID 86582288
8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane
CID 144761831
3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
CID 123593181
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxymethyl)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 123271402
3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103077980
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 91455769
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 126592205
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane?
The IUPAC name of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane (CID 144761812) is 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane.
What is the SMILES notation for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane?
The canonical SMILES for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane is CC.Cc1ccc(Nc2c(-c3nnc(N)o3)c3c(c(=O)n2C)CCC3)c(F)c1.
What is the InChIKey of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane?
The InChIKey is BTYZRMVCDDGEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2.C2H6/c1-9-6-7-13(12(19)8-9)21-15-14(16-22-23-18(20)26-16)10-4-3-5-11(10)17(25)24(15)2;1-2/h6-8,21H,3-5H2,1-2H3,(H2,20,23);1-2H3.
What are the key properties of 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane?
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane has a molecular weight of 385.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-methylanilino)-2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one;ethane is sourced from PubChem (CID 144761812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).