6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid

C24H22F2N2O3 — CID 89474909

IUPAC6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CC[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C24H22F2N2O3/c25-18-8-4-16(5-9-18)23(17-6-10-19(26)11-7-17)31-21-12-13-28(15-21)14-20-2-1-3-22(27-20)24(29)30/h1-11,21,23H,12-15H2,(H,29,30)/t21-/m1/s1
InChIKeyZRYFWKYCZGTSES-OAQYLSRUSA-N
MW424.45 g/mol
LogP4.44
Rot. Bonds7

About 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 89474909) has the molecular formula C24H22F2N2O3 and a molecular weight of 424.45 g/mol. Its IUPAC name is 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID89474909
Molecular FormulaC24H22F2N2O3
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CC[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C24H22F2N2O3/c25-18-8-4-16(5-9-18)23(17-6-10-19(26)11-7-17)31-21-12-13-28(15-21)14-20-2-1-3-22(27-20)24(29)30/h1-11,21,23H,12-15H2,(H,29,30)/t21-/m1/s1
InChIKeyZRYFWKYCZGTSES-OAQYLSRUSA-N
XLogP4.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474378
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 125445677
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474891
ethyl 6-[(3-benzhydryloxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 89474624
propyl 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89474376
3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
CID 67831048
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
CID 89474416

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 89474909) is 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CC[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is ZRYFWKYCZGTSES-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22F2N2O3/c25-18-8-4-16(5-9-18)23(17-6-10-19(26)11-7-17)31-21-12-13-28(15-21)14-20-2-1-3-22(27-20)24(29)30/h1-11,21,23H,12-15H2,(H,29,30)/t21-/m1/s1.
What are the key properties of 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 424.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 89474909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).