6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide

C144H120F24N24O12S3 — CID 158831106

IUPAC6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cnc2N2CC[C@@H](O)C2)c1.C#Cc1cncc(-c2cc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.C#Cc1cncc(-c2cc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)c1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncc(F)c2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncc(F)c2)C1
InChIInChI=1S/C25H21F3N4O2S.C24H21F5N4O2.C24H18F4N4O3.C24H22F4N4OS.C24H19F3N4O2S.C23H19F5N4O2/c1-2-16-9-18(12-29-11-16)22-10-19(13-30-23(22)32-8-7-17(14-32)15-33)24(34)31-20-3-5-21(6-4-20)35-25(26,27)28;1-2-14-5-6-33(13-14)22-19(15-7-17(25)12-30-10-15)8-16(11-31-22)23(34)32-18-3-4-21(20(26)9-18)35-24(27,28)29;1-2-14-7-15(11-29-10-14)19-8-16(12-30-22(19)32-6-5-18(33)13-32)23(34)31-17-3-4-21(20(25)9-17)35-24(26,27)28;1-2-15-7-8-32(14-15)22-21(16-9-18(25)13-29-11-16)10-17(12-30-22)23(33)31-19-3-5-20(6-4-19)34-24(26,27)28;1-2-15-9-16(12-28-11-15)21-10-17(13-29-22(21)31-8-7-19(32)14-31)23(33)30-18-3-5-20(6-4-18)34-24(25,26)27;1-13-4-5-32(12-13)21-18(14-6-16(24)11-29-9-14)7-15(10-30-21)22(33)31-17-2-3-20(19(25)8-17)34-23(26,27)28/h1,3-6,9-13,17,33H,7-8,14-15H2,(H,31,34);3-4,7-12,14H,2,5-6,13H2,1H3,(H,32,34);1,3-4,7-12,18,33H,5-6,13H2,(H,31,34);3-6,9-13,15H,2,7-8,14H2,1H3,(H,31,33);1,3-6,9-13,19,32H,7-8,14H2,(H,30,33);2-3,6-11,13H,4-5,12H2,1H3,(H,31,33)/t17-;14-;18-;15-;19-;13-/m001011/s1
InChIKeyIXBBENUNPDPUEK-LVYPRZPHSA-N
MW2930.85 g/mol
LogP30.96
Rot. Bonds33

About 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide

6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 158831106) has the molecular formula C144H120F24N24O12S3 and a molecular weight of 2930.85 g/mol. Its IUPAC name is 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID158831106
Molecular FormulaC144H120F24N24O12S3
Molecular Weight2930.85 g/mol
Exact Mass2928.83
IUPAC Name6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cnc2N2CC[C@@H](O)C2)c1.C#Cc1cncc(-c2cc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.C#Cc1cncc(-c2cc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)c1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncc(F)c2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncc(F)c2)C1
InChIInChI=1S/C25H21F3N4O2S.C24H21F5N4O2.C24H18F4N4O3.C24H22F4N4OS.C24H19F3N4O2S.C23H19F5N4O2/c1-2-16-9-18(12-29-11-16)22-10-19(13-30-23(22)32-8-7-17(14-32)15-33)24(34)31-20-3-5-21(6-4-20)35-25(26,27)28;1-2-14-5-6-33(13-14)22-19(15-7-17(25)12-30-10-15)8-16(11-31-22)23(34)32-18-3-4-21(20(26)9-18)35-24(27,28)29;1-2-14-7-15(11-29-10-14)19-8-16(12-30-22(19)32-6-5-18(33)13-32)23(34)31-17-3-4-21(20(25)9-17)35-24(26,27)28;1-2-15-7-8-32(14-15)22-21(16-9-18(25)13-29-11-16)10-17(12-30-22)23(33)31-19-3-5-20(6-4-19)34-24(26,27)28;1-2-15-9-16(12-28-11-15)21-10-17(13-29-22(21)31-8-7-19(32)14-31)23(33)30-18-3-5-20(6-4-18)34-24(25,26)27;1-13-4-5-32(12-13)21-18(14-6-16(24)11-29-9-14)7-15(10-30-21)22(33)31-17-2-3-20(19(25)8-17)34-23(26,27)28/h1,3-6,9-13,17,33H,7-8,14-15H2,(H,31,34);3-4,7-12,14H,2,5-6,13H2,1H3,(H,32,34);1,3-4,7-12,18,33H,5-6,13H2,(H,31,34);3-6,9-13,15H,2,7-8,14H2,1H3,(H,31,33);1,3-6,9-13,19,32H,7-8,14H2,(H,30,33);2-3,6-11,13H,4-5,12H2,1H3,(H,31,33)/t17-;14-;18-;15-;19-;13-/m001011/s1
InChIKeyIXBBENUNPDPUEK-LVYPRZPHSA-N
XLogP30.96
TPSA437.10 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms207
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002930.85
LogP ≤ 530.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 158831106) is 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide is C#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cnc2N2CC[C@@H](O)C2)c1.C#Cc1cncc(-c2cc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.C#Cc1cncc(-c2cc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)c1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncc(F)c2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncc(F)c2)C1.
What is the InChIKey of 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is IXBBENUNPDPUEK-LVYPRZPHSA-N. The full InChI is InChI=1S/C25H21F3N4O2S.C24H21F5N4O2.C24H18F4N4O3.C24H22F4N4OS.C24H19F3N4O2S.C23H19F5N4O2/c1-2-16-9-18(12-29-11-16)22-10-19(13-30-23(22)32-8-7-17(14-32)15-33)24(34)31-20-3-5-21(6-4-20)35-25(26,27)28;1-2-14-5-6-33(13-14)22-19(15-7-17(25)12-30-10-15)8-16(11-31-22)23(34)32-18-3-4-21(20(26)9-18)35-24(27,28)29;1-2-14-7-15(11-29-10-14)19-8-16(12-30-22(19)32-6-5-18(33)13-32)23(34)31-17-3-4-21(20(25)9-17)35-24(26,27)28;1-2-15-7-8-32(14-15)22-21(16-9-18(25)13-29-11-16)10-17(12-30-22)23(33)31-19-3-5-20(6-4-19)34-24(26,27)28;1-2-15-9-16(12-28-11-15)21-10-17(13-29-22(21)31-8-7-19(32)14-31)23(33)30-18-3-5-20(6-4-18)34-24(25,26)27;1-13-4-5-32(12-13)21-18(14-6-16(24)11-29-9-14)7-15(10-30-21)22(33)31-17-2-3-20(19(25)8-17)34-23(26,27)28/h1,3-6,9-13,17,33H,7-8,14-15H2,(H,31,34);3-4,7-12,14H,2,5-6,13H2,1H3,(H,32,34);1,3-4,7-12,18,33H,5-6,13H2,(H,31,34);3-6,9-13,15H,2,7-8,14H2,1H3,(H,31,33);1,3-6,9-13,19,32H,7-8,14H2,(H,30,33);2-3,6-11,13H,4-5,12H2,1H3,(H,31,33)/t17-;14-;18-;15-;19-;13-/m001011/s1.
What are the key properties of 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 2930.85 g/mol, XLogP of 30.96, 33 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158831106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).