6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide

C18H18FN3O6S — CID 66898014

IUPAC6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide
SMILESCOCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=O)[nH]c12
InChIInChI=1S/C18H18FN3O6S/c1-26-5-6-27-17-15(19)13(8-10-7-12(18(20)23)22-16(10)17)28-11-3-4-14(21-9-11)29(2,24)25/h3-4,7-9,22H,5-6H2,1-2H3,(H2,20,23)
InChIKeyZBCJRFPPACAFGL-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.02
Rot. Bonds8

About 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide

6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide (PubChem CID 66898014) has the molecular formula C18H18FN3O6S and a molecular weight of 423.42 g/mol. Its IUPAC name is 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide
PubChem CID66898014
Molecular FormulaC18H18FN3O6S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide
SMILESCOCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=O)[nH]c12
InChIInChI=1S/C18H18FN3O6S/c1-26-5-6-27-17-15(19)13(8-10-7-12(18(20)23)22-16(10)17)28-11-3-4-14(21-9-11)29(2,24)25/h3-4,7-9,22H,5-6H2,1-2H3,(H2,20,23)
InChIKeyZBCJRFPPACAFGL-UHFFFAOYSA-N
XLogP2.02
TPSA133.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide (CID 66898014) is 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide is COCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=O)[nH]c12.
What is the InChIKey of 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
The InChIKey is ZBCJRFPPACAFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O6S/c1-26-5-6-27-17-15(19)13(8-10-7-12(18(20)23)22-16(10)17)28-11-3-4-14(21-9-11)29(2,24)25/h3-4,7-9,22H,5-6H2,1-2H3,(H2,20,23).
What are the key properties of 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 66898014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).