(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C159H147F31N24O10 — CID 159309360

IUPAC(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC)n2nc(C(F)F)cc2C(F)F)ccc1F.CCCC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CCCC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2.CC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/2C33H31F6N5O2.C31H27F7N4O2.2C31H29F6N5O2/c2*1-3-27(44-28-9-5-4-7-23(28)30(43-44)33(37,38)39)32(46)42-26(15-18-13-20(34)17-21(35)14-18)29-22(8-6-12-41-29)19-10-11-25(36)24(16-19)31(45)40-2;1-3-25(42-26(30(37)38)15-24(41-42)29(35)36)31(44)40-23(12-16-10-18(32)14-19(33)11-16)28-20(6-5-9-39-28)17-7-8-22(34)21(13-17)27(43)4-2;2*1-3-4-7-26(42-12-10-27(41-42)31(35,36)37)30(44)40-25(15-18-13-20(32)17-21(33)14-18)28-22(6-5-11-39-28)19-8-9-24(34)23(16-19)29(43)38-2/h2*6,8,10-14,16-17,26-27H,3-5,7,9,15H2,1-2H3,(H,40,45)(H,42,46);5-11,13-15,23,25,29-30H,3-4,12H2,1-2H3,(H,40,44);2*5-6,8-14,16-17,25-26H,3-4,7,15H2,1-2H3,(H,38,43)(H,40,44)/t26-,27+;26-,27-;23-,25+;25-,26+;25-,26-/m00000/s1
InChIKeyLCIKCWQHOXNJTO-RDDGITMZSA-N
MW3143.02 g/mol
LogP34.37
Rot. Bonds52

About (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 159309360) has the molecular formula C159H147F31N24O10 and a molecular weight of 3143.02 g/mol. Its IUPAC name is (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID159309360
Molecular FormulaC159H147F31N24O10
Molecular Weight3143.02 g/mol
Exact Mass3141.12
IUPAC Name(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC)n2nc(C(F)F)cc2C(F)F)ccc1F.CCCC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CCCC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2.CC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/2C33H31F6N5O2.C31H27F7N4O2.2C31H29F6N5O2/c2*1-3-27(44-28-9-5-4-7-23(28)30(43-44)33(37,38)39)32(46)42-26(15-18-13-20(34)17-21(35)14-18)29-22(8-6-12-41-29)19-10-11-25(36)24(16-19)31(45)40-2;1-3-25(42-26(30(37)38)15-24(41-42)29(35)36)31(44)40-23(12-16-10-18(32)14-19(33)11-16)28-20(6-5-9-39-28)17-7-8-22(34)21(13-17)27(43)4-2;2*1-3-4-7-26(42-12-10-27(41-42)31(35,36)37)30(44)40-25(15-18-13-20(32)17-21(33)14-18)28-22(6-5-11-39-28)19-8-9-24(34)23(16-19)29(43)38-2/h2*6,8,10-14,16-17,26-27H,3-5,7,9,15H2,1-2H3,(H,40,45)(H,42,46);5-11,13-15,23,25,29-30H,3-4,12H2,1-2H3,(H,40,44);2*5-6,8-14,16-17,25-26H,3-4,7,15H2,1-2H3,(H,38,43)(H,40,44)/t26-,27+;26-,27-;23-,25+;25-,26+;25-,26-/m00000/s1
InChIKeyLCIKCWQHOXNJTO-RDDGITMZSA-N
XLogP34.37
TPSA432.52 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds52
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003143.02
LogP ≤ 534.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

(S)-3-(2-(2-(3,5-difluorophenyl)-1-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 71187136
3-[2-[2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 71187137
(S)-N-(1-(3,5-bis(3-oxoisoindolin-5-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
CID 78320759
(S)-5-(2-(2-(3,5-difluorophenyl)-1-(2-(5-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)-2-fluorobenzamide
CID 86719871
5-[2-[2-(3,5-difluorophenyl)-2-[[2-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89350675
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89369876
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89369879
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 89369906
5-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 90150427
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 90162432
2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 90162488
N-[2-(dimethylamino)ethyl]-3-[2-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 90162532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 159309360) is (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CCC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC)n2nc(C(F)F)cc2C(F)F)ccc1F.CCCC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CCCC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2.CC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is LCIKCWQHOXNJTO-RDDGITMZSA-N. The full InChI is InChI=1S/2C33H31F6N5O2.C31H27F7N4O2.2C31H29F6N5O2/c2*1-3-27(44-28-9-5-4-7-23(28)30(43-44)33(37,38)39)32(46)42-26(15-18-13-20(34)17-21(35)14-18)29-22(8-6-12-41-29)19-10-11-25(36)24(16-19)31(45)40-2;1-3-25(42-26(30(37)38)15-24(41-42)29(35)36)31(44)40-23(12-16-10-18(32)14-19(33)11-16)28-20(6-5-9-39-28)17-7-8-22(34)21(13-17)27(43)4-2;2*1-3-4-7-26(42-12-10-27(41-42)31(35,36)37)30(44)40-25(15-18-13-20(32)17-21(33)14-18)28-22(6-5-11-39-28)19-8-9-24(34)23(16-19)29(43)38-2/h2*6,8,10-14,16-17,26-27H,3-5,7,9,15H2,1-2H3,(H,40,45)(H,42,46);5-11,13-15,23,25,29-30H,3-4,12H2,1-2H3,(H,40,44);2*5-6,8-14,16-17,25-26H,3-4,7,15H2,1-2H3,(H,38,43)(H,40,44)/t26-,27+;26-,27-;23-,25+;25-,26+;25-,26-/m00000/s1.
What are the key properties of (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 3143.02 g/mol, XLogP of 34.37, 52 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-propanoylphenyl)-2-pyridinyl]ethyl]butanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 159309360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).