6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid

C22H19FN2O3 — CID 90378902

IUPAC6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid
SMILESCOc1ccc2c(CC3=CC=CC(C(=O)O)N3)c(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C22H19FN2O3/c1-28-16-8-9-17-18(11-15-6-3-7-19(24-15)22(26)27)21(25-20(17)12-16)13-4-2-5-14(23)10-13/h2-10,12,19,24-25H,11H2,1H3,(H,26,27)
InChIKeyXBPAPSIEKNCBBW-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.02
Rot. Bonds5

About 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid

6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid (PubChem CID 90378902) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid
PubChem CID90378902
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid
SMILESCOc1ccc2c(CC3=CC=CC(C(=O)O)N3)c(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C22H19FN2O3/c1-28-16-8-9-17-18(11-15-6-3-7-19(24-15)22(26)27)21(25-20(17)12-16)13-4-2-5-14(23)10-13/h2-10,12,19,24-25H,11H2,1H3,(H,26,27)
InChIKeyXBPAPSIEKNCBBW-UHFFFAOYSA-N
XLogP4.02
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
CID 69097105
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
methyl 6-[(6-chloro-5-methoxy-2-thiophen-3-yl-1H-indol-3-yl)methyl]-1,2-dihydropyridine-2-carboxylate
CID 90378915
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
6-methoxy-2-(3-methoxyphenyl)-3-methyl-1H-indole
CID 13408302
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 69096906
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid (CID 90378902) is 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid is COc1ccc2c(CC3=CC=CC(C(=O)O)N3)c(-c3cccc(F)c3)[nH]c2c1.
What is the InChIKey of 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid?
The InChIKey is XBPAPSIEKNCBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-28-16-8-9-17-18(11-15-6-3-7-19(24-15)22(26)27)21(25-20(17)12-16)13-4-2-5-14(23)10-13/h2-10,12,19,24-25H,11H2,1H3,(H,26,27).
What are the key properties of 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid?
6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid has a molecular weight of 378.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid is sourced from PubChem (CID 90378902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).