(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine

C71H70F15N13O13S3 — CID 159457105

IUPAC(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine
SMILESCC1(C(=O)O)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COC1=NC(c2ccc(C(F)(F)F)nc2)N=C1CCC(=O)[C@@]1(C)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COC1=NC(c2ccc(C(F)(F)F)nc2)N=C1CCC(=O)[C@]1(C)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C(F)(F)F)nc2)cc1CN
InChIInChI=1S/2C24H23F5N4O4S.C12H13F2NO4S.C11H11F3N4O/c2*1-23(11-16(26)13-33(23)38(35,36)17-6-4-15(25)5-7-17)20(34)10-8-18-22(37-2)32-21(31-18)14-3-9-19(30-12-14)24(27,28)29;1-12(11(16)17)6-9(14)7-15(12)20(18,19)10-4-2-8(13)3-5-10;1-19-10-7(4-15)6-18(17-10)8-2-3-9(16-5-8)11(12,13)14/h2*3-7,9,12,16,21H,8,10-11,13H2,1-2H3;2-5,9H,6-7H2,1H3,(H,16,17);2-3,5-6H,4,15H2,1H3/t16-,21?,23+;16-,21?,23-;9-,12?;/m111./s1
InChIKeyLUCRJYJVJQAJAY-WXTPNZRHSA-N
MW1694.59 g/mol
LogP11.71
Rot. Bonds20

About (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine

(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine (PubChem CID 159457105) has the molecular formula C71H70F15N13O13S3 and a molecular weight of 1694.59 g/mol. Its IUPAC name is (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine
PubChem CID159457105
Molecular FormulaC71H70F15N13O13S3
Molecular Weight1694.59 g/mol
Exact Mass1693.41
IUPAC Name(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine
SMILESCC1(C(=O)O)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COC1=NC(c2ccc(C(F)(F)F)nc2)N=C1CCC(=O)[C@@]1(C)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COC1=NC(c2ccc(C(F)(F)F)nc2)N=C1CCC(=O)[C@]1(C)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C(F)(F)F)nc2)cc1CN
InChIInChI=1S/2C24H23F5N4O4S.C12H13F2NO4S.C11H11F3N4O/c2*1-23(11-16(26)13-33(23)38(35,36)17-6-4-15(25)5-7-17)20(34)10-8-18-22(37-2)32-21(31-18)14-3-9-19(30-12-14)24(27,28)29;1-12(11(16)17)6-9(14)7-15(12)20(18,19)10-4-2-8(13)3-5-10;1-19-10-7(4-15)6-18(17-10)8-2-3-9(16-5-8)11(12,13)14/h2*3-7,9,12,16,21H,8,10-11,13H2,1-2H3;2-5,9H,6-7H2,1H3,(H,16,17);2-3,5-6H,4,15H2,1H3/t16-,21?,23+;16-,21?,23-;9-,12?;/m111./s1
InChIKeyLUCRJYJVJQAJAY-WXTPNZRHSA-N
XLogP11.71
TPSA343.22 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001694.59
LogP ≤ 511.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one;1-[(2R,3S)-3-fluoropyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one;hydrochloride
CID 158564344
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine
CID 159042669
(4R)-4-fluoro-2-(4-fluorophenyl)sulfonyl-1-methylcyclopentane-1-carboxylic acid;bis(1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one);[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine
CID 159258664
(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine
CID 160225570
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine
CID 161308267

Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine?
The IUPAC name of (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine (CID 159457105) is (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine?
The canonical SMILES for (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine is CC1(C(=O)O)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COC1=NC(c2ccc(C(F)(F)F)nc2)N=C1CCC(=O)[C@@]1(C)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COC1=NC(c2ccc(C(F)(F)F)nc2)N=C1CCC(=O)[C@]1(C)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.COc1nn(-c2ccc(C(F)(F)F)nc2)cc1CN.
What is the InChIKey of (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine?
The InChIKey is LUCRJYJVJQAJAY-WXTPNZRHSA-N. The full InChI is InChI=1S/2C24H23F5N4O4S.C12H13F2NO4S.C11H11F3N4O/c2*1-23(11-16(26)13-33(23)38(35,36)17-6-4-15(25)5-7-17)20(34)10-8-18-22(37-2)32-21(31-18)14-3-9-19(30-12-14)24(27,28)29;1-12(11(16)17)6-9(14)7-15(12)20(18,19)10-4-2-8(13)3-5-10;1-19-10-7(4-15)6-18(17-10)8-2-3-9(16-5-8)11(12,13)14/h2*3-7,9,12,16,21H,8,10-11,13H2,1-2H3;2-5,9H,6-7H2,1H3,(H,16,17);2-3,5-6H,4,15H2,1H3/t16-,21?,23+;16-,21?,23-;9-,12?;/m111./s1.
What are the key properties of (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine?
(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine has a molecular weight of 1694.59 g/mol, XLogP of 11.71, 20 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine-2-carboxylic acid;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;1-[(2R,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-2H-imidazol-4-yl]propan-1-one;[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 159457105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).