5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid

C24H19FN2O2 — CID 160606410

IUPAC5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN2O2/c25-19-4-6-20(7-5-19)27-10-9-17-11-15(1-8-23(17)27)12-22-21(24(28)29)13-18(14-26-22)16-2-3-16/h1,4-11,13-14,16H,2-3,12H2,(H,28,29)
InChIKeyWGLHZDWEEHBFSB-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.33
Rot. Bonds5

About 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 160606410) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid
PubChem CID160606410
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN2O2/c25-19-4-6-20(7-5-19)27-10-9-17-11-15(1-8-23(17)27)12-22-21(24(28)29)13-18(14-26-22)16-2-3-16/h1,4-11,13-14,16H,2-3,12H2,(H,28,29)
InChIKeyWGLHZDWEEHBFSB-UHFFFAOYSA-N
XLogP5.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate
CID 159954471
5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
CID 157373136
5-cyclopropyl-2-[[1-(2-phenylethyl)indol-5-yl]methyl]pyridine-3-carboxylic acid;1-(2-phenylethyl)indol-5-amine
CID 162134508
5-chloro-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]benzoic acid
CID 159373042
5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoate
CID 161345289
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoate
CID 158615651
5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
CID 159437384
2-[[7-(cyclohexen-1-yl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 158294578
methyl 2-[(3-bromo-1-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate;methyl 5-cyclopropyl-2-[(1-methylindol-5-yl)methyl]pyridine-3-carboxylate
CID 157054014
5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid
CID 144618968
methyl 5-cyclopropyl-2-[[1-(2-methylpropyl)indazol-5-yl]methyl]pyridine-3-carboxylate
CID 159559582
N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[(2-methylphenyl)methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid
CID 161447893

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid (CID 160606410) is 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is WGLHZDWEEHBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c25-19-4-6-20(7-5-19)27-10-9-17-11-15(1-8-23(17)27)12-22-21(24(28)29)13-18(14-26-22)16-2-3-16/h1,4-11,13-14,16H,2-3,12H2,(H,28,29).
What are the key properties of 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 160606410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).