6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

C21H18N2O4 — CID 69096906

IUPAC6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccoc3C)[nH]c2c1
InChIInChI=1S/C21H18N2O4/c1-12-15(8-9-27-12)20-17(10-13-4-3-5-18(22-13)21(24)25)16-7-6-14(26-2)11-19(16)23-20/h3-9,11,23H,10H2,1-2H3,(H,24,25)
InChIKeyANZABDDTPPJZKW-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.43
Rot. Bonds5

About 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 69096906) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID69096906
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccoc3C)[nH]c2c1
InChIInChI=1S/C21H18N2O4/c1-12-15(8-9-27-12)20-17(10-13-4-3-5-18(22-13)21(24)25)16-7-6-14(26-2)11-19(16)23-20/h3-9,11,23H,10H2,1-2H3,(H,24,25)
InChIKeyANZABDDTPPJZKW-UHFFFAOYSA-N
XLogP4.43
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097215
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116
6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 144559991
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
3-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-2H-1,2,4-oxadiazole-5-thione
CID 86703292
methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 68755403
6-[[6-chloro-2-(2,3-dihydrothiophen-4-yl)-5-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 90378969
6-[(5-chloro-6-methoxy-2-propan-2-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 68758001

Frequently Asked Questions

What is the IUPAC name of 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (CID 69096906) is 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccoc3C)[nH]c2c1.
What is the InChIKey of 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is ANZABDDTPPJZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-12-15(8-9-27-12)20-17(10-13-4-3-5-18(22-13)21(24)25)16-7-6-14(26-2)11-19(16)23-20/h3-9,11,23H,10H2,1-2H3,(H,24,25).
What are the key properties of 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69096906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).