2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide

C24H18F3N3O6S — CID 59283465

IUPAC2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide
SMILESCOc1ncccc1-c1c(C(=O)NS(C)(=O)=O)n(Cc2ccccc2F)c2ccc3c(c12)OC(F)(F)O3
InChIInChI=1S/C24H18F3N3O6S/c1-34-23-14(7-5-11-28-23)18-19-16(9-10-17-21(19)36-24(26,27)35-17)30(12-13-6-3-4-8-15(13)25)20(18)22(31)29-37(2,32)33/h3-11H,12H2,1-2H3,(H,29,31)
InChIKeyOZRIYZMVRYQXFC-UHFFFAOYSA-N
MW533.48 g/mol
LogP3.91
Rot. Bonds6

About 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide

2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide (PubChem CID 59283465) has the molecular formula C24H18F3N3O6S and a molecular weight of 533.48 g/mol. Its IUPAC name is 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide
PubChem CID59283465
Molecular FormulaC24H18F3N3O6S
Molecular Weight533.48 g/mol
Exact Mass533.09
IUPAC Name2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide
SMILESCOc1ncccc1-c1c(C(=O)NS(C)(=O)=O)n(Cc2ccccc2F)c2ccc3c(c12)OC(F)(F)O3
InChIInChI=1S/C24H18F3N3O6S/c1-34-23-14(7-5-11-28-23)18-19-16(9-10-17-21(19)36-24(26,27)35-17)30(12-13-6-3-4-8-15(13)25)20(18)22(31)29-37(2,32)33/h3-11H,12H2,1-2H3,(H,29,31)
InChIKeyOZRIYZMVRYQXFC-UHFFFAOYSA-N
XLogP3.91
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-methoxy-3-pyridinyl)-N-methylsulfonylpyrrolo[2,3-c]pyridine-2-carboxamide
CID 59490904
7-[(2,5-difluorophenyl)methyl]-9-(2-methoxy-3-pyridinyl)-2,3-dihydro-[1,4]dioxino[2,3-e]indole-8-carboxylic acid
CID 59434770
1-[5-bromo-1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-ethylsulfonylethanone
CID 58132375
3-[(2,4-difluorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)-N-sulfanylbenzo[e]indole-2-carboxamide
CID 89041218
7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide
CID 25109155
ethyl 2,2-difluoro-8-(2-methoxy-3-pyridinyl)-6H-[1,3]dioxolo[4,5-e]indole-7-carboxylate
CID 59283344
2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(7-oxocyclohepta-1,3-dien-1-yl)-[1,3]dioxolo[4,5-e]indole-7-carboxylic acid
CID 162584824
5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225825
cyclopropanesulfonamide;N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxamide;5-fluoro-3-[(2-fluoro-5-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)benzo[e]indole-2-carboxylic acid;methane
CID 159652511
6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 25173705
1-[(2-fluorophenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111266766
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide?
The IUPAC name of 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide (CID 59283465) is 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide.
What is the SMILES notation for 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide?
The canonical SMILES for 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide is COc1ncccc1-c1c(C(=O)NS(C)(=O)=O)n(Cc2ccccc2F)c2ccc3c(c12)OC(F)(F)O3.
What is the InChIKey of 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide?
The InChIKey is OZRIYZMVRYQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O6S/c1-34-23-14(7-5-11-28-23)18-19-16(9-10-17-21(19)36-24(26,27)35-17)30(12-13-6-3-4-8-15(13)25)20(18)22(31)29-37(2,32)33/h3-11H,12H2,1-2H3,(H,29,31).
What are the key properties of 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide?
2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide has a molecular weight of 533.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-[(2-fluorophenyl)methyl]-8-(2-methoxy-3-pyridinyl)-N-methylsulfonyl-[1,3]dioxolo[4,5-e]indole-7-carboxamide is sourced from PubChem (CID 59283465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).