(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one

C154H130F23N19O10 — CID 162029695

IUPAC(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2ccc(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(=O)O)c3c2COC3)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C2CC2C3O)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)Cc2cc(F)cc(F)c2)ccc1F.COc1ccc2c(n1)C(CC(=O)CC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(C)cc1)=CC2
InChIInChI=1S/C33H30F6N4O.C32H26F6N4O2.C31H27F2N3O2.C30H25F3N4O4.C28H22F6N4O/c1-19(40)28-16-21(9-10-29(28)36)26-7-5-11-41-31(26)22(12-20-13-23(34)17-24(35)14-20)15-25(44)18-43-30-8-4-2-3-6-27(30)32(42-43)33(37,38)39;1-15(39)23-11-17(4-5-26(23)35)22-3-2-6-40-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(43)14-42-29-24-13-25(24)30(44)27(29)31(41-42)32(36,37)38;1-19-3-5-22(6-4-19)30-31(35-12-11-34-30)24(13-20-14-25(32)18-26(33)15-20)17-27(37)16-23-8-7-21-9-10-28(38-2)36-29(21)23;1-16(34)24-11-18(4-5-26(24)33)23-3-2-6-35-28(23)19(7-17-8-20(31)12-21(32)9-17)10-22(38)13-37-27-15-41-14-25(27)29(36-37)30(39)40;1-16(35)24-13-18(4-5-25(24)31)23-3-2-7-36-27(23)19(9-17-10-20(29)14-21(30)11-17)12-22(39)15-38-8-6-26(37-38)28(32,33)34/h5,7,9-11,13-14,16-17,22H,1-4,6,8,12,15,18,40H2;2-6,8-9,11-12,18,24-25,30,44H,1,7,10,13-14,39H2;3-6,8-12,14-15,18,24H,7,13,16-17H2,1-2H3;2-6,8-9,11-12,19H,1,7,10,13-15,34H2,(H,39,40);2-8,10-11,13-14,19H,1,9,12,15,35H2/t22-;18-,24?,25?,30?;;2*19-/m11.11/s1
InChIKeyYVVWGJXJKOJCJF-LNRVXXALSA-N
MW2843.81 g/mol
LogP31.76
Rot. Bonds46

About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one (PubChem CID 162029695) has the molecular formula C154H130F23N19O10 and a molecular weight of 2843.81 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one
PubChem CID162029695
Molecular FormulaC154H130F23N19O10
Molecular Weight2843.81 g/mol
Exact Mass2841.99
IUPAC Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2ccc(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(=O)O)c3c2COC3)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C2CC2C3O)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)Cc2cc(F)cc(F)c2)ccc1F.COc1ccc2c(n1)C(CC(=O)CC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(C)cc1)=CC2
InChIInChI=1S/C33H30F6N4O.C32H26F6N4O2.C31H27F2N3O2.C30H25F3N4O4.C28H22F6N4O/c1-19(40)28-16-21(9-10-29(28)36)26-7-5-11-41-31(26)22(12-20-13-23(34)17-24(35)14-20)15-25(44)18-43-30-8-4-2-3-6-27(30)32(42-43)33(37,38)39;1-15(39)23-11-17(4-5-26(23)35)22-3-2-6-40-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(43)14-42-29-24-13-25(24)30(44)27(29)31(41-42)32(36,37)38;1-19-3-5-22(6-4-19)30-31(35-12-11-34-30)24(13-20-14-25(32)18-26(33)15-20)17-27(37)16-23-8-7-21-9-10-28(38-2)36-29(21)23;1-16(34)24-11-18(4-5-26(24)33)23-3-2-6-35-28(23)19(7-17-8-20(31)12-21(32)9-17)10-22(38)13-37-27-15-41-14-25(27)29(36-37)30(39)40;1-16(35)24-13-18(4-5-25(24)31)23-3-2-7-36-27(23)19(9-17-10-20(29)14-21(30)11-17)12-22(39)15-38-8-6-26(37-38)28(32,33)34/h5,7,9-11,13-14,16-17,22H,1-4,6,8,12,15,18,40H2;2-6,8-9,11-12,18,24-25,30,44H,1,7,10,13-14,39H2;3-6,8-12,14-15,18,24H,7,13,16-17H2,1-2H3;2-6,8-9,11-12,19H,1,7,10,13-15,34H2,(H,39,40);2-8,10-11,13-14,19H,1,9,12,15,35H2/t22-;18-,24?,25?,30?;;2*19-/m11.11/s1
InChIKeyYVVWGJXJKOJCJF-LNRVXXALSA-N
XLogP31.76
TPSA426.93 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds46
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002843.81
LogP ≤ 531.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one (CID 162029695) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2ccc(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(=O)O)c3c2COC3)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C2CC2C3O)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)Cc2cc(F)cc(F)c2)ccc1F.COc1ccc2c(n1)C(CC(=O)CC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(C)cc1)=CC2.
What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
The InChIKey is YVVWGJXJKOJCJF-LNRVXXALSA-N. The full InChI is InChI=1S/C33H30F6N4O.C32H26F6N4O2.C31H27F2N3O2.C30H25F3N4O4.C28H22F6N4O/c1-19(40)28-16-21(9-10-29(28)36)26-7-5-11-41-31(26)22(12-20-13-23(34)17-24(35)14-20)15-25(44)18-43-30-8-4-2-3-6-27(30)32(42-43)33(37,38)39;1-15(39)23-11-17(4-5-26(23)35)22-3-2-6-40-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(43)14-42-29-24-13-25(24)30(44)27(29)31(41-42)32(36,37)38;1-19-3-5-22(6-4-19)30-31(35-12-11-34-30)24(13-20-14-25(32)18-26(33)15-20)17-27(37)16-23-8-7-21-9-10-28(38-2)36-29(21)23;1-16(34)24-11-18(4-5-26(24)33)23-3-2-6-35-28(23)19(7-17-8-20(31)12-21(32)9-17)10-22(38)13-37-27-15-41-14-25(27)29(36-37)30(39)40;1-16(35)24-13-18(4-5-25(24)31)23-3-2-7-36-27(23)19(9-17-10-20(29)14-21(30)11-17)12-22(39)15-38-8-6-26(37-38)28(32,33)34/h5,7,9-11,13-14,16-17,22H,1-4,6,8,12,15,18,40H2;2-6,8-9,11-12,18,24-25,30,44H,1,7,10,13-14,39H2;3-6,8-12,14-15,18,24H,7,13,16-17H2,1-2H3;2-6,8-9,11-12,19H,1,7,10,13-15,34H2,(H,39,40);2-8,10-11,13-14,19H,1,9,12,15,35H2/t22-;18-,24?,25?,30?;;2*19-/m11.11/s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one has a molecular weight of 2843.81 g/mol, XLogP of 31.76, 46 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one is sourced from PubChem (CID 162029695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).