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

C15H12FN3O5S — CID 58236955

IUPAC6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2cc3cc(C(N)=O)[nH]c3c(O)c2F)cn1
InChIInChI=1S/C15H12FN3O5S/c1-25(22,23)11-3-2-8(6-18-11)24-10-5-7-4-9(15(17)21)19-13(7)14(20)12(10)16/h2-6,19-20H,1H3,(H2,17,21)
InChIKeyKOGLJIGICZGADT-UHFFFAOYSA-N
MW365.34 g/mol
LogP1.70
Rot. Bonds4

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

6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide (PubChem CID 58236955) has the molecular formula C15H12FN3O5S and a molecular weight of 365.34 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide
PubChem CID58236955
Molecular FormulaC15H12FN3O5S
Molecular Weight365.34 g/mol
Exact Mass365.05
IUPAC Name6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2cc3cc(C(N)=O)[nH]c3c(O)c2F)cn1
InChIInChI=1S/C15H12FN3O5S/c1-25(22,23)11-3-2-8(6-18-11)24-10-5-7-4-9(15(17)21)19-13(7)14(20)12(10)16/h2-6,19-20H,1H3,(H2,17,21)
InChIKeyKOGLJIGICZGADT-UHFFFAOYSA-N
XLogP1.70
TPSA135.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2,6-difluorophenoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indole
CID 16123583
7-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indole
CID 16123585
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 58236930
6-Fluoro-7-hydroxy-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indole-2-carboxylic acid
CID 58236987
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
CID 58237021
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
CID 58237030
ethyl 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 58237069
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
CID 58237083
6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide
CID 58237089
6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carbothioamide
CID 58237099
ethyl 6-fluoro-7-[(methylsulfonyl)oxy]-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indole-2-carboxylate
CID 58237123
2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]butanoic acid
CID 66897585

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide (CID 58236955) is 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide is CS(=O)(=O)c1ccc(Oc2cc3cc(C(N)=O)[nH]c3c(O)c2F)cn1.
What is the InChIKey of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
The InChIKey is KOGLJIGICZGADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5S/c1-25(22,23)11-3-2-8(6-18-11)24-10-5-7-4-9(15(17)21)19-13(7)14(20)12(10)16/h2-6,19-20H,1H3,(H2,17,21).
What are the key properties of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide?
6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 58236955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).