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

C18H18FN3O5S — CID 58237089

IUPAC6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide
SMILESCCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=O)[nH]c12
InChIInChI=1S/C18H18FN3O5S/c1-3-6-26-17-15(19)13(8-10-7-12(18(20)23)22-16(10)17)27-11-4-5-14(21-9-11)28(2,24)25/h4-5,7-9,22H,3,6H2,1-2H3,(H2,20,23)
InChIKeyMEMRKMSLSXQQGH-UHFFFAOYSA-N
MW407.42 g/mol
LogP2.79
Rot. Bonds7

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

6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide (PubChem CID 58237089) has the molecular formula C18H18FN3O5S and a molecular weight of 407.42 g/mol. Its IUPAC name is 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide
PubChem CID58237089
Molecular FormulaC18H18FN3O5S
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide
SMILESCCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=O)[nH]c12
InChIInChI=1S/C18H18FN3O5S/c1-3-6-26-17-15(19)13(8-10-7-12(18(20)23)22-16(10)17)27-11-4-5-14(21-9-11)28(2,24)25/h4-5,7-9,22H,3,6H2,1-2H3,(H2,20,23)
InChIKeyMEMRKMSLSXQQGH-UHFFFAOYSA-N
XLogP2.79
TPSA124.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide (CID 58237089) is 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide is CCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C(N)=O)[nH]c12.
What is the InChIKey of 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide?
The InChIKey is MEMRKMSLSXQQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O5S/c1-3-6-26-17-15(19)13(8-10-7-12(18(20)23)22-16(10)17)27-11-4-5-14(21-9-11)28(2,24)25/h4-5,7-9,22H,3,6H2,1-2H3,(H2,20,23).
What are the key properties of 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide?
6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 58237089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).