5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid

C19H18FN3O3 — CID 67537767

IUPAC5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid
SMILESCc1cc2c(F)c(Oc3ccnc(CNC4CC4)c3)ccc2n1C(=O)O
InChIInChI=1S/C19H18FN3O3/c1-11-8-15-16(23(11)19(24)25)4-5-17(18(15)20)26-14-6-7-21-13(9-14)10-22-12-2-3-12/h4-9,12,22H,2-3,10H2,1H3,(H,24,25)
InChIKeyBWOLLMBKUKQAMM-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.05
Rot. Bonds5

About 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid

5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid (PubChem CID 67537767) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid
PubChem CID67537767
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid
SMILESCc1cc2c(F)c(Oc3ccnc(CNC4CC4)c3)ccc2n1C(=O)O
InChIInChI=1S/C19H18FN3O3/c1-11-8-15-16(23(11)19(24)25)4-5-17(18(15)20)26-14-6-7-21-13(9-14)10-22-12-2-3-12/h4-9,12,22H,2-3,10H2,1H3,(H,24,25)
InChIKeyBWOLLMBKUKQAMM-UHFFFAOYSA-N
XLogP4.05
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid?
The IUPAC name of 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid (CID 67537767) is 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid.
What is the SMILES notation for 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid?
The canonical SMILES for 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid is Cc1cc2c(F)c(Oc3ccnc(CNC4CC4)c3)ccc2n1C(=O)O.
What is the InChIKey of 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid?
The InChIKey is BWOLLMBKUKQAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-8-15-16(23(11)19(24)25)4-5-17(18(15)20)26-14-6-7-21-13(9-14)10-22-12-2-3-12/h4-9,12,22H,2-3,10H2,1H3,(H,24,25).
What are the key properties of 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid?
5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid is sourced from PubChem (CID 67537767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).