3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one

C94H75F5N12O16 — CID 158842063

IUPAC3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one
SMILESCC(=O)c1c(-c2ccc(C)[nH]c2=O)c2cc(C)ccc2n1Cc1cc([N+](=O)[O-])ccc1F.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1F.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1cc([N+](=O)[O-])ccc1F.CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(C)=O)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/2C24H20FN3O4.C23H17F2N3O4.C23H18FN3O4/c1-13-4-9-21-19(10-13)22(18-7-5-14(2)26-24(18)30)23(15(3)29)27(21)12-16-11-17(28(31)32)6-8-20(16)25;1-3-15-6-9-21-19(11-15)22(18-5-4-10-26-24(18)30)23(14(2)29)27(21)13-16-12-17(28(31)32)7-8-20(16)25;1-12-8-17-20(10-19(12)25)27(11-14-9-15(28(31)32)5-6-18(14)24)22(13(2)29)21(17)16-4-3-7-26-23(16)30;1-13-5-8-20-18(10-13)21(17-4-3-9-25-23(17)29)22(14(2)28)26(20)12-15-11-16(27(30)31)6-7-19(15)24/h4-11H,12H2,1-3H3,(H,26,30);4-12H,3,13H2,1-2H3,(H,26,30);3-10H,11H2,1-2H3,(H,26,30);3-11H,12H2,1-2H3,(H,25,29)
InChIKeyIYJDJCRSPVSELJ-UHFFFAOYSA-N
MW1723.69 g/mol
LogP19.11
Rot. Bonds21

About 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one

3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one (PubChem CID 158842063) has the molecular formula C94H75F5N12O16 and a molecular weight of 1723.69 g/mol. Its IUPAC name is 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one
PubChem CID158842063
Molecular FormulaC94H75F5N12O16
Molecular Weight1723.69 g/mol
Exact Mass1722.53
IUPAC Name3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one
SMILESCC(=O)c1c(-c2ccc(C)[nH]c2=O)c2cc(C)ccc2n1Cc1cc([N+](=O)[O-])ccc1F.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1F.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1cc([N+](=O)[O-])ccc1F.CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(C)=O)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/2C24H20FN3O4.C23H17F2N3O4.C23H18FN3O4/c1-13-4-9-21-19(10-13)22(18-7-5-14(2)26-24(18)30)23(15(3)29)27(21)12-16-11-17(28(31)32)6-8-20(16)25;1-3-15-6-9-21-19(11-15)22(18-5-4-10-26-24(18)30)23(14(2)29)27(21)13-16-12-17(28(31)32)7-8-20(16)25;1-12-8-17-20(10-19(12)25)27(11-14-9-15(28(31)32)5-6-18(14)24)22(13(2)29)21(17)16-4-3-7-26-23(16)30;1-13-5-8-20-18(10-13)21(17-4-3-9-25-23(17)29)22(14(2)28)26(20)12-15-11-16(27(30)31)6-7-19(15)24/h4-11H,12H2,1-3H3,(H,26,30);4-12H,3,13H2,1-2H3,(H,26,30);3-10H,11H2,1-2H3,(H,26,30);3-11H,12H2,1-2H3,(H,25,29)
InChIKeyIYJDJCRSPVSELJ-UHFFFAOYSA-N
XLogP19.11
TPSA392.00 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001723.69
LogP ≤ 519.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240848
3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one
CID 58240960
3-[5-tert-butyl-2-(2-cyclopropylsulfonylacetyl)-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 58132435
2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5-(trifluoromethyl)indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(trifluoromethyl)indol-3-yl]-1H-pyridin-2-one
CID 160709329
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 143773929
5-ethyl-1-[(2-methylphenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;bis(N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide);6-fluoro-1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;1-[(2-fluorophenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 161123093
3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one
CID 58240889
5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
CID 58132641
6-fluoro-1-[(2-fluoro-3-methylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 25225834
1-[(2-fluoro-3-methylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240990
[3-[[2-carboxy-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indol-1-yl]methyl]-4-fluorophenyl]-methoxy-oxoazanium
CID 163975680
1-[(2-chloro-6-methylquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 72723790

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one (CID 158842063) is 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one is CC(=O)c1c(-c2ccc(C)[nH]c2=O)c2cc(C)ccc2n1Cc1cc([N+](=O)[O-])ccc1F.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1F.CC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1cc([N+](=O)[O-])ccc1F.CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(C)=O)n2Cc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one?
The InChIKey is IYJDJCRSPVSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20FN3O4.C23H17F2N3O4.C23H18FN3O4/c1-13-4-9-21-19(10-13)22(18-7-5-14(2)26-24(18)30)23(15(3)29)27(21)12-16-11-17(28(31)32)6-8-20(16)25;1-3-15-6-9-21-19(11-15)22(18-5-4-10-26-24(18)30)23(14(2)29)27(21)13-16-12-17(28(31)32)7-8-20(16)25;1-12-8-17-20(10-19(12)25)27(11-14-9-15(28(31)32)5-6-18(14)24)22(13(2)29)21(17)16-4-3-7-26-23(16)30;1-13-5-8-20-18(10-13)21(17-4-3-9-25-23(17)29)22(14(2)28)26(20)12-15-11-16(27(30)31)6-7-19(15)24/h4-11H,12H2,1-3H3,(H,26,30);4-12H,3,13H2,1-2H3,(H,26,30);3-10H,11H2,1-2H3,(H,26,30);3-11H,12H2,1-2H3,(H,25,29).
What are the key properties of 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one?
3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one has a molecular weight of 1723.69 g/mol, XLogP of 19.11, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158842063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).