1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate

C77H72Cl3F3N6O13 — CID 158250000

IUPAC1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)C1.COC(=O)C1CCNC1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C26H24ClFN2O4.C25H22ClFN2O4.C20H15ClFNO3.C6H11NO2/c1-33-22-9-7-18(24(28)23(22)17-4-3-5-20(27)13-17)12-16-6-8-21(29-14-16)25(31)30-11-10-19(15-30)26(32)34-2;1-33-21-8-6-17(23(27)22(21)16-3-2-4-19(26)12-16)11-15-5-7-20(28-13-15)24(30)29-10-9-18(14-29)25(31)32;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-9-6(8)5-2-3-7-4-5/h3-9,13-14,19H,10-12,15H2,1-2H3;2-8,12-13,18H,9-11,14H2,1H3,(H,31,32);2-8,10-11H,9H2,1H3,(H,24,25);5,7H,2-4H2,1H3
InChIKeyGGPFIIFGSINSOA-UHFFFAOYSA-N
MW1452.80 g/mol
LogP14.07
Rot. Bonds18

About 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate

1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate (PubChem CID 158250000) has the molecular formula C77H72Cl3F3N6O13 and a molecular weight of 1452.80 g/mol. Its IUPAC name is 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate
PubChem CID158250000
Molecular FormulaC77H72Cl3F3N6O13
Molecular Weight1452.80 g/mol
Exact Mass1450.42
IUPAC Name1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)C1.COC(=O)C1CCNC1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C26H24ClFN2O4.C25H22ClFN2O4.C20H15ClFNO3.C6H11NO2/c1-33-22-9-7-18(24(28)23(22)17-4-3-5-20(27)13-17)12-16-6-8-21(29-14-16)25(31)30-11-10-19(15-30)26(32)34-2;1-33-21-8-6-17(23(27)22(21)16-3-2-4-19(26)12-16)11-15-5-7-20(28-13-15)24(30)29-10-9-18(14-29)25(31)32;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-9-6(8)5-2-3-7-4-5/h3-9,13-14,19H,10-12,15H2,1-2H3;2-8,12-13,18H,9-11,14H2,1H3,(H,31,32);2-8,10-11H,9H2,1H3,(H,24,25);5,7H,2-4H2,1H3
InChIKeyGGPFIIFGSINSOA-UHFFFAOYSA-N
XLogP14.07
TPSA246.21 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.80
LogP ≤ 514.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate with MolForge

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Related Compounds

1-[5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid
CID 57703726
1-[5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 57703761
N-[(3S,4R)-3-(4-acetylbenzoyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;4-methylpyridine-2-carboxylic acid;N-methyl-3-(trifluoromethyl)benzamide
CID 87241584
5-chloropyridine-2-carboxylic acid;N-[(3S,4R)-4-(3,4-dichlorophenyl)-3-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 87241587
5-[4-[2-[[(2S,5S,8S,13S,16R)-16-benzyl-8-[(4-chlorophenyl)methyl]-5-(methoxymethyl)-2,7,13,14-tetramethyl-3,6,10,15,18-pentaoxo-1,4,7,11,14-pentazacyclooctadec-1-yl]methyl]-5-chlorophenoxy]phenyl]-N-piperidin-4-ylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 146596517
N-[(3S,4R)-1-(4-acetylbenzoyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;4-methylpyridine-2-carboxylic acid;N-methyl-3-(trifluoromethyl)benzamide
CID 157388627
(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-[5-(4-fluorophenyl)-2-pyridinyl]-2-oxoacetamide;2,2-difluoro-2-[5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 159627569
(3R)-1-[[4-[(E)-2-[2-chloro-3-[2-fluoro-3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]ethenyl]-2-methoxy-5-methylphenyl]methyl]pyrrolidine-3-carboxylic acid
CID 164149747
(3R)-1-[[4-[(E)-2-[2-chloro-3-[2-fluoro-3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]ethenyl]-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 166891637
(2S)-2-[[4-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid;methyl (2S)-2-[(4-chloropyridine-2-carbonyl)amino]-3-(4-phenylphenyl)propanoate
CID 69883112
Carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
CID 157171105
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-N,N-dimethylpyridine-2-carboxamide;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;N-methylmethanamine
CID 157655432

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate?
The IUPAC name of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate (CID 158250000) is 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate.
What is the SMILES notation for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate?
The canonical SMILES for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)C1.COC(=O)C1CCNC1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate?
The InChIKey is GGPFIIFGSINSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O4.C25H22ClFN2O4.C20H15ClFNO3.C6H11NO2/c1-33-22-9-7-18(24(28)23(22)17-4-3-5-20(27)13-17)12-16-6-8-21(29-14-16)25(31)30-11-10-19(15-30)26(32)34-2;1-33-21-8-6-17(23(27)22(21)16-3-2-4-19(26)12-16)11-15-5-7-20(28-13-15)24(30)29-10-9-18(14-29)25(31)32;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-9-6(8)5-2-3-7-4-5/h3-9,13-14,19H,10-12,15H2,1-2H3;2-8,12-13,18H,9-11,14H2,1H3,(H,31,32);2-8,10-11H,9H2,1H3,(H,24,25);5,7H,2-4H2,1H3.
What are the key properties of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate?
1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate has a molecular weight of 1452.80 g/mol, XLogP of 14.07, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate is sourced from PubChem (CID 158250000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).