5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid

C24H22FNO3 — CID 147012036

IUPAC5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Cc3ncc(C4CC4)cc3C(=O)O)cc2C)c1
InChIInChI=1S/C24H22FNO3/c1-14-8-17(22(25)12-20(14)16-4-3-5-19(9-16)29-2)11-23-21(24(27)28)10-18(13-26-23)15-6-7-15/h3-5,8-10,12-13,15H,6-7,11H2,1-2H3,(H,27,28)
InChIKeyAUBAGNVRMLDUCD-UHFFFAOYSA-N
MW391.44 g/mol
LogP5.37
Rot. Bonds6

About 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 147012036) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid
PubChem CID147012036
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Cc3ncc(C4CC4)cc3C(=O)O)cc2C)c1
InChIInChI=1S/C24H22FNO3/c1-14-8-17(22(25)12-20(14)16-4-3-5-19(9-16)29-2)11-23-21(24(27)28)10-18(13-26-23)15-6-7-15/h3-5,8-10,12-13,15H,6-7,11H2,1-2H3,(H,27,28)
InChIKeyAUBAGNVRMLDUCD-UHFFFAOYSA-N
XLogP5.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate
CID 25034347
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
5-(2-(2-(Benzyloxy)-5-(trifluoromethyl)phenyl)cyclopent-1-enyl)nicotinic acid
CID 21112865
8-Fluoro-1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967790
2-(2''-((N-ethylcyclopropanecarboxamido)methyl)-4''-(5-fluoropyridin-2-yl)-6-methoxybiphenyl-3-yl)acetic acid
CID 53321816
(3S)-3-cyclopropyl-3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]propanoic acid
CID 57705806
6-[(3-Butoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopropylidene-methyl]-nicotinic acid
CID 11178007
6-[Cyclopropylidene-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-nicotinic acid
CID 11327597
1-[5-(6-Methoxynaphthalen-2-yl)pyridin-3-yl]ethanone
CID 25034348
[3-(3-Methoxyphenyl)isoquinolin-4-yl]methyl 4-tert-butylbenzoate
CID 44142544
[3-(3-Methoxyphenyl)isoquinolin-4-yl]methyl 4-fluorobenzoate
CID 44142547
Methyl (E)-5-(4-hydroxy-2,6-dimethylstyryl)nicotinate
CID 44418532

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid (CID 147012036) is 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid is COc1cccc(-c2cc(F)c(Cc3ncc(C4CC4)cc3C(=O)O)cc2C)c1.
What is the InChIKey of 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is AUBAGNVRMLDUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-14-8-17(22(25)12-20(14)16-4-3-5-19(9-16)29-2)11-23-21(24(27)28)10-18(13-26-23)15-6-7-15/h3-5,8-10,12-13,15H,6-7,11H2,1-2H3,(H,27,28).
What are the key properties of 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 391.44 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[2-fluoro-4-(3-methoxyphenyl)-5-methylphenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 147012036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).