methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate

C17H12ClF2N3O3 — CID 118940022

IUPACmethyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C17H12ClF2N3O3/c1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2/h3-6H,1-2H3,(H2,21,22)
InChIKeyRFRRFALLZDAMGS-UHFFFAOYSA-N
MW379.75 g/mol
LogP3.66
Rot. Bonds2

About methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate

methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate (PubChem CID 118940022) has the molecular formula C17H12ClF2N3O3 and a molecular weight of 379.75 g/mol. Its IUPAC name is methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate
PubChem CID118940022
Molecular FormulaC17H12ClF2N3O3
Molecular Weight379.75 g/mol
Exact Mass379.05
IUPAC Namemethyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C17H12ClF2N3O3/c1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2/h3-6H,1-2H3,(H2,21,22)
InChIKeyRFRRFALLZDAMGS-UHFFFAOYSA-N
XLogP3.66
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate with MolForge

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Related Compounds

methyl 1-[(6-chloro-3-pyridinyl)methyl]-1H-indole-2-carboxylate
CID 3742474
methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
CID 78319091
Methyl 4-amino-3-chloro-6-[2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]pyridine-2-carboxylate
CID 168346950
Methyl 1-(pyridin-4-ylmethyl)-6-(trifluoromethyl)indole-2-carboxylate
CID 15979364
Propyl 2-chloro-4-fluoro-3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoate
CID 67107255
methyl 6-(4-chloro-3-fluorophenyl)-3-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylate
CID 68158845
3-chloro-5-(5-trifluoromethylpyrid-2-yl)-1H-indole-2-carboxylic acid ethyl ester
CID 68473534
1h-Pyrrolo[3,2-c]pyridine-6-carboxylic acid,1-[(4-fluorophenyl)methyl]-,ethyl ester
CID 69199163
[(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[6-(piperidine-1-carbonyl)-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 69461098
[(1S)-1-(3-chlorophenyl)-2-[[(2R)-1-[6-(piperidine-1-carbonyl)-1H-indol-3-yl]propan-2-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 69461102
ethyl 3-chloro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-2-carboxylate
CID 69493435
Methyl 7-fluoro-1,3-dimethylpyrrolo[3,2-c]quinoline-4-carboxylate
CID 70207195

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate (CID 118940022) is methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate?
The InChIKey is RFRRFALLZDAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O3/c1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2/h3-6H,1-2H3,(H2,21,22).
What are the key properties of methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate?
methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate has a molecular weight of 379.75 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 118940022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).