N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide

C138H113ClF27N25O16S2 — CID 160796018

IUPACN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)F)cc3)cnc2N2CC[C@@H](O)C2)cn1.N#Cc1cncc(-c2cc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(S(=O)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(SC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1
InChIInChI=1S/C24H18F5N5O2.C24H22F4N4O3.C23H18F6N4O3.C23H19F5N4O3.C22H18ClF3N4O2S.C22H18F4N4O3S/c25-23(26,24(27,28)29)17-1-3-18(4-2-17)33-22(36)16-8-20(15-7-14(9-30)10-31-11-15)21(32-12-16)34-6-5-19(35)13-34;1-14-2-3-15(11-29-14)20-10-16(12-30-21(20)32-9-8-18(33)13-32)22(34)31-17-4-6-19(7-5-17)35-24(27,28)23(25)26;24-15-7-13(9-30-11-15)19-8-14(10-31-20(19)33-6-5-17(34)12-33)21(35)32-16-1-3-18(4-2-16)36-23(28,29)22(25,26)27;24-15-7-13(9-29-11-15)19-8-14(10-30-20(19)32-6-5-17(33)12-32)21(34)31-16-1-3-18(4-2-16)35-23(27,28)22(25)26;23-22(25,26)33-18-3-1-16(2-4-18)29-21(32)14-8-19(13-7-15(24)11-27-9-13)20(28-10-14)30-6-5-17(31)12-30;23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)34(33)22(24,25)26/h1-4,7-8,10-12,19,35H,5-6,13H2,(H,33,36);2-7,10-12,18,23,33H,8-9,13H2,1H3,(H,31,34);1-4,7-11,17,34H,5-6,12H2,(H,32,35);1-4,7-11,17,22,33H,5-6,12H2,(H,31,34);1-4,7-11,17,31H,5-6,12H2,(H,29,32);1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t19-;18-;3*17-;17-,34?/m111111/s1
InChIKeySCLMNRYTFUGOJU-IWCBWMJWSA-N
MW2990.11 g/mol
LogP26.71
Rot. Bonds36

About N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 160796018) has the molecular formula C138H113ClF27N25O16S2 and a molecular weight of 2990.11 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID160796018
Molecular FormulaC138H113ClF27N25O16S2
Molecular Weight2990.11 g/mol
Exact Mass2987.75
IUPAC NameN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)F)cc3)cnc2N2CC[C@@H](O)C2)cn1.N#Cc1cncc(-c2cc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(S(=O)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(SC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1
InChIInChI=1S/C24H18F5N5O2.C24H22F4N4O3.C23H18F6N4O3.C23H19F5N4O3.C22H18ClF3N4O2S.C22H18F4N4O3S/c25-23(26,24(27,28)29)17-1-3-18(4-2-17)33-22(36)16-8-20(15-7-14(9-30)10-31-11-15)21(32-12-16)34-6-5-19(35)13-34;1-14-2-3-15(11-29-14)20-10-16(12-30-21(20)32-9-8-18(33)13-32)22(34)31-17-4-6-19(7-5-17)35-24(27,28)23(25)26;24-15-7-13(9-30-11-15)19-8-14(10-31-20(19)33-6-5-17(34)12-33)21(35)32-16-1-3-18(4-2-16)36-23(28,29)22(25,26)27;24-15-7-13(9-29-11-15)19-8-14(10-30-20(19)32-6-5-17(33)12-32)21(34)31-16-1-3-18(4-2-16)35-23(27,28)22(25)26;23-22(25,26)33-18-3-1-16(2-4-18)29-21(32)14-8-19(13-7-15(24)11-27-9-13)20(28-10-14)30-6-5-17(31)12-30;23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)34(33)22(24,25)26/h1-4,7-8,10-12,19,35H,5-6,13H2,(H,33,36);2-7,10-12,18,23,33H,8-9,13H2,1H3,(H,31,34);1-4,7-11,17,34H,5-6,12H2,(H,32,35);1-4,7-11,17,22,33H,5-6,12H2,(H,31,34);1-4,7-11,17,31H,5-6,12H2,(H,29,32);1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t19-;18-;3*17-;17-,34?/m111111/s1
InChIKeySCLMNRYTFUGOJU-IWCBWMJWSA-N
XLogP26.71
TPSA538.65 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002990.11
LogP ≤ 526.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide (CID 160796018) is N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)F)cc3)cnc2N2CC[C@@H](O)C2)cn1.N#Cc1cncc(-c2cc(C(=O)Nc3ccc(C(F)(F)C(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(S(=O)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.O=C(Nc1ccc(SC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is SCLMNRYTFUGOJU-IWCBWMJWSA-N. The full InChI is InChI=1S/C24H18F5N5O2.C24H22F4N4O3.C23H18F6N4O3.C23H19F5N4O3.C22H18ClF3N4O2S.C22H18F4N4O3S/c25-23(26,24(27,28)29)17-1-3-18(4-2-17)33-22(36)16-8-20(15-7-14(9-30)10-31-11-15)21(32-12-16)34-6-5-19(35)13-34;1-14-2-3-15(11-29-14)20-10-16(12-30-21(20)32-9-8-18(33)13-32)22(34)31-17-4-6-19(7-5-17)35-24(27,28)23(25)26;24-15-7-13(9-30-11-15)19-8-14(10-31-20(19)33-6-5-17(34)12-33)21(35)32-16-1-3-18(4-2-16)36-23(28,29)22(25,26)27;24-15-7-13(9-29-11-15)19-8-14(10-30-20(19)32-6-5-17(33)12-32)21(34)31-16-1-3-18(4-2-16)35-23(27,28)22(25)26;23-22(25,26)33-18-3-1-16(2-4-18)29-21(32)14-8-19(13-7-15(24)11-27-9-13)20(28-10-14)30-6-5-17(31)12-30;23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)34(33)22(24,25)26/h1-4,7-8,10-12,19,35H,5-6,13H2,(H,33,36);2-7,10-12,18,23,33H,8-9,13H2,1H3,(H,31,34);1-4,7-11,17,34H,5-6,12H2,(H,32,35);1-4,7-11,17,22,33H,5-6,12H2,(H,31,34);1-4,7-11,17,31H,5-6,12H2,(H,29,32);1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t19-;18-;3*17-;17-,34?/m111111/s1.
What are the key properties of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 2990.11 g/mol, XLogP of 26.71, 36 rotatable bonds, 12 hydrogen bond donors, and 36 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-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethylsulfinyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 160796018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).