N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

C163H145ClF32N40O19S4 — CID 159980797

IUPACN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cnc(N2CC[C@H](CO)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@H](CO)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C21H18F5N5O3.C21H18F5N5O2.C21H19F4N5O3.C21H20F3N5O2S.C20H18ClF2N5O2S.C20H17F4N5O3.C20H17F4N5O2S.C19H18F5N5O2S/c22-20(23,24)21(25,26)34-15-3-1-13(2-4-15)29-19(33)12-9-16(17-5-7-28-30-17)18(27-10-12)31-8-6-14(32)11-31;22-20(23,21(24,25)26)13-1-3-14(4-2-13)29-19(33)12-9-16(17-5-7-28-30-17)18(27-10-12)31-8-6-15(32)11-31;22-16-8-14(1-2-18(16)33-21(23,24)25)28-20(32)13-7-15(17-3-5-27-29-17)19(26-9-13)30-6-4-12(10-30)11-31;22-21(23,24)32-16-3-1-15(2-4-16)27-20(31)14-9-17(18-5-7-26-28-18)19(25-10-14)29-8-6-13(11-29)12-30;21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28;2*21-15-8-12(1-2-17(15)32-20(22,23)24)27-19(31)11-7-14(16-3-5-26-28-16)18(25-9-11)29-6-4-13(30)10-29;20-32(21,22,23,24)15-3-1-13(2-4-15)27-19(31)12-9-16(17-5-7-26-28-17)18(25-10-12)29-8-6-14(30)11-29/h1-5,7,9-10,14,32H,6,8,11H2,(H,28,30)(H,29,33);1-5,7,9-10,15,32H,6,8,11H2,(H,28,30)(H,29,33);1-3,5,7-9,12,31H,4,6,10-11H2,(H,27,29)(H,28,32);1-5,7,9-10,13,30H,6,8,11-12H2,(H,26,28)(H,27,31);1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30);2*1-3,5,7-9,13,30H,4,6,10H2,(H,26,28)(H,27,31);1-5,7,9-10,14,30H,6,8,11H2,(H,26,28)(H,27,31)/t14-;15-;12-;13-;14-;2*13-;14-/m11001111/s1
InChIKeyOFSZFGRDWFQRPZ-YORNFBNKSA-N
MW3739.87 g/mol
LogP32.02
Rot. Bonds44

About N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 159980797) has the molecular formula C163H145ClF32N40O19S4 and a molecular weight of 3739.87 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
PubChem CID159980797
Molecular FormulaC163H145ClF32N40O19S4
Molecular Weight3739.87 g/mol
Exact Mass3736.97
IUPAC NameN-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cnc(N2CC[C@H](CO)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@H](CO)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C21H18F5N5O3.C21H18F5N5O2.C21H19F4N5O3.C21H20F3N5O2S.C20H18ClF2N5O2S.C20H17F4N5O3.C20H17F4N5O2S.C19H18F5N5O2S/c22-20(23,24)21(25,26)34-15-3-1-13(2-4-15)29-19(33)12-9-16(17-5-7-28-30-17)18(27-10-12)31-8-6-14(32)11-31;22-20(23,21(24,25)26)13-1-3-14(4-2-13)29-19(33)12-9-16(17-5-7-28-30-17)18(27-10-12)31-8-6-15(32)11-31;22-16-8-14(1-2-18(16)33-21(23,24)25)28-20(32)13-7-15(17-3-5-27-29-17)19(26-9-13)30-6-4-12(10-30)11-31;22-21(23,24)32-16-3-1-15(2-4-16)27-20(31)14-9-17(18-5-7-26-28-18)19(25-10-14)29-8-6-13(11-29)12-30;21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28;2*21-15-8-12(1-2-17(15)32-20(22,23)24)27-19(31)11-7-14(16-3-5-26-28-16)18(25-9-11)29-6-4-13(30)10-29;20-32(21,22,23,24)15-3-1-13(2-4-15)27-19(31)12-9-16(17-5-7-26-28-17)18(25-10-12)29-8-6-14(30)11-29/h1-5,7,9-10,14,32H,6,8,11H2,(H,28,30)(H,29,33);1-5,7,9-10,15,32H,6,8,11H2,(H,28,30)(H,29,33);1-3,5,7-9,12,31H,4,6,10-11H2,(H,27,29)(H,28,32);1-5,7,9-10,13,30H,6,8,11-12H2,(H,26,28)(H,27,31);1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30);2*1-3,5,7-9,13,30H,4,6,10H2,(H,26,28)(H,27,31);1-5,7,9-10,14,30H,6,8,11H2,(H,26,28)(H,27,31)/t14-;15-;12-;13-;14-;2*13-;14-/m11001111/s1
InChIKeyOFSZFGRDWFQRPZ-YORNFBNKSA-N
XLogP32.02
TPSA780.81 Ų
H-Bond Donors24
H-Bond Acceptors46
Rotatable Bonds44
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003739.87
LogP ≤ 532.02
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1046

Analyze N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide (CID 159980797) is N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cnc(N2CC[C@H](CO)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@H](CO)C2)c(-c2ccn[nH]2)c1.
What is the InChIKey of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is OFSZFGRDWFQRPZ-YORNFBNKSA-N. The full InChI is InChI=1S/C21H18F5N5O3.C21H18F5N5O2.C21H19F4N5O3.C21H20F3N5O2S.C20H18ClF2N5O2S.C20H17F4N5O3.C20H17F4N5O2S.C19H18F5N5O2S/c22-20(23,24)21(25,26)34-15-3-1-13(2-4-15)29-19(33)12-9-16(17-5-7-28-30-17)18(27-10-12)31-8-6-14(32)11-31;22-20(23,21(24,25)26)13-1-3-14(4-2-13)29-19(33)12-9-16(17-5-7-28-30-17)18(27-10-12)31-8-6-15(32)11-31;22-16-8-14(1-2-18(16)33-21(23,24)25)28-20(32)13-7-15(17-3-5-27-29-17)19(26-9-13)30-6-4-12(10-30)11-31;22-21(23,24)32-16-3-1-15(2-4-16)27-20(31)14-9-17(18-5-7-26-28-18)19(25-10-14)29-8-6-13(11-29)12-30;21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28;2*21-15-8-12(1-2-17(15)32-20(22,23)24)27-19(31)11-7-14(16-3-5-26-28-16)18(25-9-11)29-6-4-13(30)10-29;20-32(21,22,23,24)15-3-1-13(2-4-15)27-19(31)12-9-16(17-5-7-26-28-17)18(25-10-12)29-8-6-14(30)11-29/h1-5,7,9-10,14,32H,6,8,11H2,(H,28,30)(H,29,33);1-5,7,9-10,15,32H,6,8,11H2,(H,28,30)(H,29,33);1-3,5,7-9,12,31H,4,6,10-11H2,(H,27,29)(H,28,32);1-5,7,9-10,13,30H,6,8,11-12H2,(H,26,28)(H,27,31);1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30);2*1-3,5,7-9,13,30H,4,6,10H2,(H,26,28)(H,27,31);1-5,7,9-10,14,30H,6,8,11H2,(H,26,28)(H,27,31)/t14-;15-;12-;13-;14-;2*13-;14-/m11001111/s1.
What are the key properties of N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide?
N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 3739.87 g/mol, XLogP of 32.02, 44 rotatable bonds, 24 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methyl]sulfanylphenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159980797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).