2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide

C163H142F26N20O10S3 — CID 159421554

IUPAC2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)cc1.CC12CCC(c3c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc4cc(F)cc(F)c4)c4ncccc4-c4ccc(F)c(C(N)=O)c4)c31)C2(C)C.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccsc2)c1.Cn1ncc2ccc(-c3cccnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC43)cc21.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cn1nc(C(F)F)c2c1C(F)(F)C1CC21
InChIInChI=1S/C35H32F6N4O3S.C35H32F6N4O2.C34H31F6N3O3S.C31H24F6N6O.C28H23F2N3OS/c36-23-14-20(15-24(37)17-23)13-22(16-25(46)19-45-33-30(32(43-45)34(38)39)28-18-29(28)35(33,40)41)31-27(5-4-10-42-31)21-6-8-26(9-7-21)49(47,48)44-11-2-1-3-12-44;1-33(2)26-8-9-34(33,3)31-28(26)30(35(39,40)41)44-45(31)17-23(46)14-20(11-18-12-21(36)16-22(37)13-18)29-24(5-4-10-43-29)19-6-7-27(38)25(15-19)32(42)47;1-18(2)17-47(45,46)25-7-5-20(6-8-25)26-4-3-9-41-30(26)21(10-19-11-22(35)14-23(36)12-19)13-24(44)16-43-32-29(31(42-43)33(37)38)27-15-28(27)34(32,39)40;1-42-24-10-16(4-5-17(24)13-39-42)20-3-2-6-38-27(20)23(9-15-7-18(32)11-19(33)8-15)40-25(44)14-43-29-26(28(41-43)30(34)35)21-12-22(21)31(29,36)37;1-17-9-18(11-22(30)10-17)12-26(28-23(3-2-7-31-28)19-6-8-35-16-19)33-27(34)13-20-15-32-25-5-4-21(29)14-24(20)25/h4-10,14-15,17,22,28-29,34H,1-3,11-13,16,18-19H2;4-7,10,12-13,15-16,20,26H,8-9,11,14,17H2,1-3H3,(H2,42,47);3-9,11-12,14,18,21,27-28,33H,10,13,15-17H2,1-2H3;2-8,10-11,13,21-23,30H,9,12,14H2,1H3,(H,40,44);2-11,14-16,26,32H,12-13H2,1H3,(H,33,34)/t22-,28?,29?;20-,26?,34?;21-,27?,28?;21?,22?,23-;26-/m11100/s1
InChIKeyLPVFZCDNLRPJEZ-GEJNJYTPSA-N
MW3131.21 g/mol
LogP35.83
Rot. Bonds47

About 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide

2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide (PubChem CID 159421554) has the molecular formula C163H142F26N20O10S3 and a molecular weight of 3131.21 g/mol. Its IUPAC name is 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide
PubChem CID159421554
Molecular FormulaC163H142F26N20O10S3
Molecular Weight3131.21 g/mol
Exact Mass3129.00
IUPAC Name2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide
SMILESCC(C)CS(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)cc1.CC12CCC(c3c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc4cc(F)cc(F)c4)c4ncccc4-c4ccc(F)c(C(N)=O)c4)c31)C2(C)C.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccsc2)c1.Cn1ncc2ccc(-c3cccnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC43)cc21.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cn1nc(C(F)F)c2c1C(F)(F)C1CC21
InChIInChI=1S/C35H32F6N4O3S.C35H32F6N4O2.C34H31F6N3O3S.C31H24F6N6O.C28H23F2N3OS/c36-23-14-20(15-24(37)17-23)13-22(16-25(46)19-45-33-30(32(43-45)34(38)39)28-18-29(28)35(33,40)41)31-27(5-4-10-42-31)21-6-8-26(9-7-21)49(47,48)44-11-2-1-3-12-44;1-33(2)26-8-9-34(33,3)31-28(26)30(35(39,40)41)44-45(31)17-23(46)14-20(11-18-12-21(36)16-22(37)13-18)29-24(5-4-10-43-29)19-6-7-27(38)25(15-19)32(42)47;1-18(2)17-47(45,46)25-7-5-20(6-8-25)26-4-3-9-41-30(26)21(10-19-11-22(35)14-23(36)12-19)13-24(44)16-43-32-29(31(42-43)33(37)38)27-15-28(27)34(32,39)40;1-42-24-10-16(4-5-17(24)13-39-42)20-3-2-6-38-27(20)23(9-15-7-18(32)11-19(33)8-15)40-25(44)14-43-29-26(28(41-43)30(34)35)21-12-22(21)31(29,36)37;1-17-9-18(11-22(30)10-17)12-26(28-23(3-2-7-31-28)19-6-8-35-16-19)33-27(34)13-20-15-32-25-5-4-21(29)14-24(20)25/h4-10,14-15,17,22,28-29,34H,1-3,11-13,16,18-19H2;4-7,10,12-13,15-16,20,26H,8-9,11,14,17H2,1-3H3,(H2,42,47);3-9,11-12,14,18,21,27-28,33H,10,13,15-17H2,1-2H3;2-8,10-11,13,21-23,30H,9,12,14H2,1H3,(H,40,44);2-11,14-16,26,32H,12-13H2,1H3,(H,33,34)/t22-,28?,29?;20-,26?,34?;21-,27?,28?;21?,22?,23-;26-/m11100/s1
InChIKeyLPVFZCDNLRPJEZ-GEJNJYTPSA-N
XLogP35.83
TPSA393.36 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds47
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003131.21
LogP ≤ 535.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide (CID 159421554) is 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide is CC(C)CS(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)cc1.CC12CCC(c3c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc4cc(F)cc(F)c4)c4ncccc4-c4ccc(F)c(C(N)=O)c4)c31)C2(C)C.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccsc2)c1.Cn1ncc2ccc(-c3cccnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC43)cc21.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cn1nc(C(F)F)c2c1C(F)(F)C1CC21.
What is the InChIKey of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide?
The InChIKey is LPVFZCDNLRPJEZ-GEJNJYTPSA-N. The full InChI is InChI=1S/C35H32F6N4O3S.C35H32F6N4O2.C34H31F6N3O3S.C31H24F6N6O.C28H23F2N3OS/c36-23-14-20(15-24(37)17-23)13-22(16-25(46)19-45-33-30(32(43-45)34(38)39)28-18-29(28)35(33,40)41)31-27(5-4-10-42-31)21-6-8-26(9-7-21)49(47,48)44-11-2-1-3-12-44;1-33(2)26-8-9-34(33,3)31-28(26)30(35(39,40)41)44-45(31)17-23(46)14-20(11-18-12-21(36)16-22(37)13-18)29-24(5-4-10-43-29)19-6-7-27(38)25(15-19)32(42)47;1-18(2)17-47(45,46)25-7-5-20(6-8-25)26-4-3-9-41-30(26)21(10-19-11-22(35)14-23(36)12-19)13-24(44)16-43-32-29(31(42-43)33(37)38)27-15-28(27)34(32,39)40;1-42-24-10-16(4-5-17(24)13-39-42)20-3-2-6-38-27(20)23(9-15-7-18(32)11-19(33)8-15)40-25(44)14-43-29-26(28(41-43)30(34)35)21-12-22(21)31(29,36)37;1-17-9-18(11-22(30)10-17)12-26(28-23(3-2-7-31-28)19-6-8-35-16-19)33-27(34)13-20-15-32-25-5-4-21(29)14-24(20)25/h4-10,14-15,17,22,28-29,34H,1-3,11-13,16,18-19H2;4-7,10,12-13,15-16,20,26H,8-9,11,14,17H2,1-3H3,(H2,42,47);3-9,11-12,14,18,21,27-28,33H,10,13,15-17H2,1-2H3;2-8,10-11,13,21-23,30H,9,12,14H2,1H3,(H,40,44);2-11,14-16,26,32H,12-13H2,1H3,(H,33,34)/t22-,28?,29?;20-,26?,34?;21-,27?,28?;21?,22?,23-;26-/m11100/s1.
What are the key properties of 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide?
2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide has a molecular weight of 3131.21 g/mol, XLogP of 35.83, 47 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methylindazol-6-yl)-2-pyridinyl]ethyl]acetamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-[4-(2-methylpropylsulfonyl)phenyl]-2-pyridinyl]pentan-2-one;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-piperidin-1-ylsulfonylphenyl)-2-pyridinyl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-thiophen-3-yl-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 159421554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).