N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one

C157H127F31N22O7 — CID 159751726

IUPACN-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3=O)ccc1F.C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c(C)c2C(F)F)ccc1F.C=C1C=Cc2ccc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)cc2N1.CN1C(=O)Cc2c(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)cccc21.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(CN)cc23)cc1
InChIInChI=1S/C34H26F8N4O.C33H26F8N4O2.C31H28F2N4O.C30H23F6N5O2.C29H24F7N5O/c1-18-4-5-20-6-7-21(15-27(20)44-18)26-3-2-10-43-29(26)22(11-19-12-23(35)16-24(36)13-19)14-25(47)17-46-31-28(30(45-46)32(37)38)33(39,40)8-9-34(31,41)42;1-44-25-6-2-4-22(24(25)15-26(44)47)23-5-3-9-42-28(23)18(10-17-11-19(34)14-20(35)12-17)13-21(46)16-45-30-27(29(43-45)31(36)37)32(38,39)7-8-33(30,40)41;1-19-4-7-22(8-5-19)26-3-2-10-35-31(26)29(14-21-11-24(32)16-25(33)12-21)37-30(38)15-23-18-36-28-9-6-20(17-34)13-27(23)28;1-15(37)21-12-17(4-5-22(21)33)20-3-2-8-38-28(20)23(11-16-9-18(31)13-19(32)10-16)39-26(43)14-41-24-6-7-25(42)27(24)29(40-41)30(34,35)36;1-14-25(28(33)34)40-41(27(14)29(35)36)13-24(42)39-23(10-16-8-18(30)12-19(31)9-16)26-20(4-3-7-38-26)17-5-6-22(32)21(11-17)15(2)37/h2-7,10,12-13,15-16,22,32,44H,1,8-9,11,14,17H2;2-6,9,11-12,14,18,31H,7-8,10,13,15-16H2,1H3;2-13,16,18,29,36H,14-15,17,34H2,1H3,(H,37,38);2-5,8-10,12-13,23H,1,6-7,11,14,37H2,(H,39,43);3-9,11-12,23,28-29H,2,10,13,37H2,1H3,(H,39,42)/t22-;18-;29-;2*23-/m11000/s1
InChIKeyNDSUBXMILCKYQT-ZZEVQTNXSA-N
MW3022.83 g/mol
LogP34.75
Rot. Bonds44

About N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one

N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one (PubChem CID 159751726) has the molecular formula C157H127F31N22O7 and a molecular weight of 3022.83 g/mol. Its IUPAC name is N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound NameN-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one
PubChem CID159751726
Molecular FormulaC157H127F31N22O7
Molecular Weight3022.83 g/mol
Exact Mass3020.98
IUPAC NameN-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3=O)ccc1F.C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c(C)c2C(F)F)ccc1F.C=C1C=Cc2ccc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)cc2N1.CN1C(=O)Cc2c(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)cccc21.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(CN)cc23)cc1
InChIInChI=1S/C34H26F8N4O.C33H26F8N4O2.C31H28F2N4O.C30H23F6N5O2.C29H24F7N5O/c1-18-4-5-20-6-7-21(15-27(20)44-18)26-3-2-10-43-29(26)22(11-19-12-23(35)16-24(36)13-19)14-25(47)17-46-31-28(30(45-46)32(37)38)33(39,40)8-9-34(31,41)42;1-44-25-6-2-4-22(24(25)15-26(44)47)23-5-3-9-42-28(23)18(10-17-11-19(34)14-20(35)12-17)13-21(46)16-45-30-27(29(43-45)31(36)37)32(38,39)7-8-33(30,40)41;1-19-4-7-22(8-5-19)26-3-2-10-35-31(26)29(14-21-11-24(32)16-25(33)12-21)37-30(38)15-23-18-36-28-9-6-20(17-34)13-27(23)28;1-15(37)21-12-17(4-5-22(21)33)20-3-2-8-38-28(20)23(11-16-9-18(31)13-19(32)10-16)39-26(43)14-41-24-6-7-25(42)27(24)29(40-41)30(34,35)36;1-14-25(28(33)34)40-41(27(14)29(35)36)13-24(42)39-23(10-16-8-18(30)12-19(31)9-16)26-20(4-3-7-38-26)17-5-6-22(32)21(11-17)15(2)37/h2-7,10,12-13,15-16,22,32,44H,1,8-9,11,14,17H2;2-6,9,11-12,14,18,31H,7-8,10,13,15-16H2,1H3;2-13,16,18,29,36H,14-15,17,34H2,1H3,(H,37,38);2-5,8-10,12-13,23H,1,6-7,11,14,37H2,(H,39,43);3-9,11-12,23,28-29H,2,10,13,37H2,1H3,(H,39,42)/t22-;18-;29-;2*23-/m11000/s1
InChIKeyNDSUBXMILCKYQT-ZZEVQTNXSA-N
XLogP34.75
TPSA400.43 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds44
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003022.83
LogP ≤ 534.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one?
The IUPAC name of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one (CID 159751726) is N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one is C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3=O)ccc1F.C=C(N)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c(C)c2C(F)F)ccc1F.C=C1C=Cc2ccc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)cc2N1.CN1C(=O)Cc2c(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)cccc21.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(CN)cc23)cc1.
What is the InChIKey of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one?
The InChIKey is NDSUBXMILCKYQT-ZZEVQTNXSA-N. The full InChI is InChI=1S/C34H26F8N4O.C33H26F8N4O2.C31H28F2N4O.C30H23F6N5O2.C29H24F7N5O/c1-18-4-5-20-6-7-21(15-27(20)44-18)26-3-2-10-43-29(26)22(11-19-12-23(35)16-24(36)13-19)14-25(47)17-46-31-28(30(45-46)32(37)38)33(39,40)8-9-34(31,41)42;1-44-25-6-2-4-22(24(25)15-26(44)47)23-5-3-9-42-28(23)18(10-17-11-19(34)14-20(35)12-17)13-21(46)16-45-30-27(29(43-45)31(36)37)32(38,39)7-8-33(30,40)41;1-19-4-7-22(8-5-19)26-3-2-10-35-31(26)29(14-21-11-24(32)16-25(33)12-21)37-30(38)15-23-18-36-28-9-6-20(17-34)13-27(23)28;1-15(37)21-12-17(4-5-22(21)33)20-3-2-8-38-28(20)23(11-16-9-18(31)13-19(32)10-16)39-26(43)14-41-24-6-7-25(42)27(24)29(40-41)30(34,35)36;1-14-25(28(33)34)40-41(27(14)29(35)36)13-24(42)39-23(10-16-8-18(30)12-19(31)9-16)26-20(4-3-7-38-26)17-5-6-22(32)21(11-17)15(2)37/h2-7,10,12-13,15-16,22,32,44H,1,8-9,11,14,17H2;2-6,9,11-12,14,18,31H,7-8,10,13,15-16H2,1H3;2-13,16,18,29,36H,14-15,17,34H2,1H3,(H,37,38);2-5,8-10,12-13,23H,1,6-7,11,14,37H2,(H,39,43);3-9,11-12,23,28-29H,2,10,13,37H2,1H3,(H,39,42)/t22-;18-;29-;2*23-/m11000/s1.
What are the key properties of N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one?
N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one has a molecular weight of 3022.83 g/mol, XLogP of 34.75, 44 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]acetamide;N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetamide;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]pentan-2-one;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 159751726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).