N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide

C142H126ClF25N24O11S3 — CID 162239175

IUPACN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESC#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(C)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(=O)C(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)F)cc3)cnc2N2CC[C@@H](C)C2)cn1
InChIInChI=1S/C25H24F4N4O2.C25H22F2N4O3.C24H20F6N4O2.C23H20ClF3N4OS.C23H20F4N4O2S.C22H20F6N4OS/c1-15-9-10-33(14-15)22-21(17-4-3-16(2)30-12-17)11-18(13-31-22)23(34)32-19-5-7-20(8-6-19)35-25(28,29)24(26)27;1-3-16-10-17(13-28-12-16)22-11-18(14-29-23(22)31-9-8-20(32)15-31)24(33)30-19-4-6-21(7-5-19)34-25(2,26)27;1-14-6-7-34(13-14)21-20(15-8-17(25)12-31-10-15)9-16(11-32-21)22(35)33-18-2-4-19(5-3-18)36-24(29,30)23(26,27)28;1-14-6-7-31(13-14)21-20(15-8-17(25)12-28-10-15)9-16(11-29-21)22(32)30-18-2-4-19(5-3-18)33-23(24,26)27;1-14-6-7-31(13-14)21-20(15-8-17(24)12-28-10-15)9-16(11-29-21)22(32)30-18-2-4-19(5-3-18)34(33)23(25,26)27;1-14-6-7-32(13-14)21-20(15-8-17(23)12-29-10-15)9-16(11-30-21)22(33)31-18-2-4-19(5-3-18)34(24,25,26,27)28/h3-8,11-13,15,24H,9-10,14H2,1-2H3,(H,32,34);1,4-7,10-14,20,32H,8-9,15H2,2H3,(H,30,33);2-5,8-12,14H,6-7,13H2,1H3,(H,33,35);2-5,8-12,14H,6-7,13H2,1H3,(H,30,32);2-5,8-12,14H,6-7,13H2,1H3,(H,30,32);2-5,8-12,14H,6-7,13H2,1H3,(H,31,33)/t15-;20-;2*14-;14-,34?;14-/m111111/s1
InChIKeyZWLWUWDKBCREHB-MSGZWMAPSA-N
MW2951.33 g/mol
LogP33.95
Rot. Bonds35

About N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide

N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 162239175) has the molecular formula C142H126ClF25N24O11S3 and a molecular weight of 2951.33 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID162239175
Molecular FormulaC142H126ClF25N24O11S3
Molecular Weight2951.33 g/mol
Exact Mass2948.85
IUPAC NameN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESC#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(C)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(=O)C(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)F)cc3)cnc2N2CC[C@@H](C)C2)cn1
InChIInChI=1S/C25H24F4N4O2.C25H22F2N4O3.C24H20F6N4O2.C23H20ClF3N4OS.C23H20F4N4O2S.C22H20F6N4OS/c1-15-9-10-33(14-15)22-21(17-4-3-16(2)30-12-17)11-18(13-31-22)23(34)32-19-5-7-20(8-6-19)35-25(28,29)24(26)27;1-3-16-10-17(13-28-12-16)22-11-18(14-29-23(22)31-9-8-20(32)15-31)24(33)30-19-4-6-21(7-5-19)34-25(2,26)27;1-14-6-7-34(13-14)21-20(15-8-17(25)12-31-10-15)9-16(11-32-21)22(35)33-18-2-4-19(5-3-18)36-24(29,30)23(26,27)28;1-14-6-7-31(13-14)21-20(15-8-17(25)12-28-10-15)9-16(11-29-21)22(32)30-18-2-4-19(5-3-18)33-23(24,26)27;1-14-6-7-31(13-14)21-20(15-8-17(24)12-28-10-15)9-16(11-29-21)22(32)30-18-2-4-19(5-3-18)34(33)23(25,26)27;1-14-6-7-32(13-14)21-20(15-8-17(23)12-29-10-15)9-16(11-30-21)22(33)31-18-2-4-19(5-3-18)34(24,25,26,27)28/h3-8,11-13,15,24H,9-10,14H2,1-2H3,(H,32,34);1,4-7,10-14,20,32H,8-9,15H2,2H3,(H,30,33);2-5,8-12,14H,6-7,13H2,1H3,(H,33,35);2-5,8-12,14H,6-7,13H2,1H3,(H,30,32);2-5,8-12,14H,6-7,13H2,1H3,(H,30,32);2-5,8-12,14H,6-7,13H2,1H3,(H,31,33)/t15-;20-;2*14-;14-,34?;14-/m111111/s1
InChIKeyZWLWUWDKBCREHB-MSGZWMAPSA-N
XLogP33.95
TPSA413.71 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002951.33
LogP ≤ 533.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide (CID 162239175) is N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide is C#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(C)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(=O)C(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)Cl)cc3)cc2-c2cncc(F)c2)C1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)F)cc3)cnc2N2CC[C@@H](C)C2)cn1.
What is the InChIKey of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ZWLWUWDKBCREHB-MSGZWMAPSA-N. The full InChI is InChI=1S/C25H24F4N4O2.C25H22F2N4O3.C24H20F6N4O2.C23H20ClF3N4OS.C23H20F4N4O2S.C22H20F6N4OS/c1-15-9-10-33(14-15)22-21(17-4-3-16(2)30-12-17)11-18(13-31-22)23(34)32-19-5-7-20(8-6-19)35-25(28,29)24(26)27;1-3-16-10-17(13-28-12-16)22-11-18(14-29-23(22)31-9-8-20(32)15-31)24(33)30-19-4-6-21(7-5-19)34-25(2,26)27;1-14-6-7-34(13-14)21-20(15-8-17(25)12-31-10-15)9-16(11-32-21)22(35)33-18-2-4-19(5-3-18)36-24(29,30)23(26,27)28;1-14-6-7-31(13-14)21-20(15-8-17(25)12-28-10-15)9-16(11-29-21)22(32)30-18-2-4-19(5-3-18)33-23(24,26)27;1-14-6-7-31(13-14)21-20(15-8-17(24)12-28-10-15)9-16(11-29-21)22(32)30-18-2-4-19(5-3-18)34(33)23(25,26)27;1-14-6-7-32(13-14)21-20(15-8-17(23)12-29-10-15)9-16(11-30-21)22(33)31-18-2-4-19(5-3-18)34(24,25,26,27)28/h3-8,11-13,15,24H,9-10,14H2,1-2H3,(H,32,34);1,4-7,10-14,20,32H,8-9,15H2,2H3,(H,30,33);2-5,8-12,14H,6-7,13H2,1H3,(H,33,35);2-5,8-12,14H,6-7,13H2,1H3,(H,30,32);2-5,8-12,14H,6-7,13H2,1H3,(H,30,32);2-5,8-12,14H,6-7,13H2,1H3,(H,31,33)/t15-;20-;2*14-;14-,34?;14-/m111111/s1.
What are the key properties of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide?
N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 2951.33 g/mol, XLogP of 33.95, 35 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 162239175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).