3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

C157H131ClF16N18O11S — CID 160858278

IUPAC3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCNC(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl.CS(=O)(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(F)c(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(=O)O)c3c2C2CCC3C2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C32H27ClF2N4O2.C32H27F5N4O.C32H29F2N5O4.C31H25F3N2O3S.C30H23F4N3O/c1-18-10-19(12-23(35)11-18)13-29(39-30(40)15-21-17-38-28-8-6-22(34)16-26(21)28)31-24(4-3-9-37-31)20-5-7-25(27(33)14-20)32(41)36-2;33-23-12-19(13-24(34)16-23)11-21(30-26(7-4-10-38-30)22-14-20-5-3-8-28(20)39-17-22)15-25(42)18-41-29-9-2-1-6-27(29)31(40-41)32(35,36)37;1-16-9-17(11-21(33)10-16)12-25(28-22(3-2-8-36-28)18-6-7-24(34)23(14-18)31(35)41)37-26(40)15-39-30-20-5-4-19(13-20)27(30)29(38-39)32(42)43;1-40(38,39)27-5-2-4-20(15-27)28-6-3-9-35-31(28)21(10-19-11-24(33)16-25(34)12-19)13-26(37)14-22-18-36-30-8-7-23(32)17-29(22)30;1-17-9-18(11-22(32)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(33)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(31)15-24(20)27/h3-12,14,16-17,29,38H,13,15H2,1-2H3,(H,36,41)(H,39,40);3-5,7,10,12-14,16-17,21H,1-2,6,8-9,11,15,18H2;2-3,6-11,14,19-20,25H,4-5,12-13,15H2,1H3,(H2,35,41)(H,37,40)(H,42,43);2-9,11-12,15-18,21,36H,10,13-14H2,1H3;2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t29-;21-;19?,20?,25-;21-;28-/m01010/s1
InChIKeySKDOZFRASFROAG-DAOYTPEISA-N
MW2817.38 g/mol
LogP31.65
Rot. Bonds41

About 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide

3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (PubChem CID 160858278) has the molecular formula C157H131ClF16N18O11S and a molecular weight of 2817.38 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
PubChem CID160858278
Molecular FormulaC157H131ClF16N18O11S
Molecular Weight2817.38 g/mol
Exact Mass2814.94
IUPAC Name3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
SMILESCNC(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl.CS(=O)(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(F)c(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(=O)O)c3c2C2CCC3C2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C32H27ClF2N4O2.C32H27F5N4O.C32H29F2N5O4.C31H25F3N2O3S.C30H23F4N3O/c1-18-10-19(12-23(35)11-18)13-29(39-30(40)15-21-17-38-28-8-6-22(34)16-26(21)28)31-24(4-3-9-37-31)20-5-7-25(27(33)14-20)32(41)36-2;33-23-12-19(13-24(34)16-23)11-21(30-26(7-4-10-38-30)22-14-20-5-3-8-28(20)39-17-22)15-25(42)18-41-29-9-2-1-6-27(29)31(40-41)32(35,36)37;1-16-9-17(11-21(33)10-16)12-25(28-22(3-2-8-36-28)18-6-7-24(34)23(14-18)31(35)41)37-26(40)15-39-30-20-5-4-19(13-20)27(30)29(38-39)32(42)43;1-40(38,39)27-5-2-4-20(15-27)28-6-3-9-35-31(28)21(10-19-11-24(33)16-25(34)12-19)13-26(37)14-22-18-36-30-8-7-23(32)17-29(22)30;1-17-9-18(11-22(32)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(33)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(31)15-24(20)27/h3-12,14,16-17,29,38H,13,15H2,1-2H3,(H,36,41)(H,39,40);3-5,7,10,12-14,16-17,21H,1-2,6,8-9,11,15,18H2;2-3,6-11,14,19-20,25H,4-5,12-13,15H2,1H3,(H2,35,41)(H,37,40)(H,42,43);2-9,11-12,15-18,21,36H,10,13-14H2,1H3;2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t29-;21-;19?,20?,25-;21-;28-/m01010/s1
InChIKeySKDOZFRASFROAG-DAOYTPEISA-N
XLogP31.65
TPSA425.42 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002817.38
LogP ≤ 531.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The IUPAC name of 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide (CID 160858278) is 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide.
What is the SMILES notation for 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The canonical SMILES for 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is CNC(=O)c1ccc(-c2cccnc2[C@H](Cc2cc(C)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl.CS(=O)(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(F)c(F)c2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(=O)O)c3c2C2CCC3C2)c2ncccc2-c2ccc(F)c(C(N)=O)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
The InChIKey is SKDOZFRASFROAG-DAOYTPEISA-N. The full InChI is InChI=1S/C32H27ClF2N4O2.C32H27F5N4O.C32H29F2N5O4.C31H25F3N2O3S.C30H23F4N3O/c1-18-10-19(12-23(35)11-18)13-29(39-30(40)15-21-17-38-28-8-6-22(34)16-26(21)28)31-24(4-3-9-37-31)20-5-7-25(27(33)14-20)32(41)36-2;33-23-12-19(13-24(34)16-23)11-21(30-26(7-4-10-38-30)22-14-20-5-3-8-28(20)39-17-22)15-25(42)18-41-29-9-2-1-6-27(29)31(40-41)32(35,36)37;1-16-9-17(11-21(33)10-16)12-25(28-22(3-2-8-36-28)18-6-7-24(34)23(14-18)31(35)41)37-26(40)15-39-30-20-5-4-19(13-20)27(30)29(38-39)32(42)43;1-40(38,39)27-5-2-4-20(15-27)28-6-3-9-35-31(28)21(10-19-11-24(33)16-25(34)12-19)13-26(37)14-22-18-36-30-8-7-23(32)17-29(22)30;1-17-9-18(11-22(32)10-17)12-28(30-23(3-2-8-35-30)19-4-6-25(33)26(34)13-19)37-29(38)14-20-16-36-27-7-5-21(31)15-24(20)27/h3-12,14,16-17,29,38H,13,15H2,1-2H3,(H,36,41)(H,39,40);3-5,7,10,12-14,16-17,21H,1-2,6,8-9,11,15,18H2;2-3,6-11,14,19-20,25H,4-5,12-13,15H2,1H3,(H2,35,41)(H,37,40)(H,42,43);2-9,11-12,15-18,21,36H,10,13-14H2,1H3;2-11,13,15-16,28,36H,12,14H2,1H3,(H,37,38)/t29-;21-;19?,20?,25-;21-;28-/m01010/s1.
What are the key properties of 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide?
3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide has a molecular weight of 2817.38 g/mol, XLogP of 31.65, 41 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;2-chloro-4-[2-[(1S)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]-2-(3-fluoro-5-methylphenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-1-[3-(3,4-difluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 160858278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).