(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate

C159H135F22N19O12 — CID 161411911

IUPAC(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C3=CCCCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(=O)OC)c3c2COC3)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc3c(c2C(=O)OC)COC3)Cc2cc(F)cc(F)c2)ccc1F.COc1ccc2c(n1)C(CC(=O)CC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(C)cc1)=CC2
InChIInChI=1S/C34H30F6N4O.C32H24F8N4O.2C31H27F3N4O4.C31H27F2N3O2/c1-20(41)29-16-23(9-10-31(29)37)28-8-5-11-42-32(28)24(12-21-13-25(35)17-26(36)14-21)15-27(45)18-44-19-30(22-6-3-2-4-7-22)33(43-44)34(38,39)40;1-15(41)23-11-17(4-5-26(23)35)22-3-2-6-42-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-44-30-27(29(43-44)32(38,39)40)24-13-25(24)31(30,36)37;1-17(35)25-12-19(5-6-27(25)34)24-4-3-7-36-29(24)20(8-18-9-21(32)13-22(33)10-18)11-23(39)14-38-28-16-42-15-26(28)30(37-38)31(40)41-2;1-17(35)25-12-19(5-6-27(25)34)24-4-3-7-36-29(24)20(8-18-9-21(32)13-22(33)10-18)11-23(39)14-38-30(31(40)41-2)26-15-42-16-28(26)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/h5-6,8-11,13-14,16-17,19,24H,1-4,7,12,15,18,41H2;2-6,8-9,11-12,18,24-25H,1,7,10,13-14,41H2;2*3-7,9-10,12-13,20H,1,8,11,14-16,35H2,2H3;3-6,8-12,14-15,18,24H,7,13,16-17H2,1-2H3/t24-;18-,24?,25?;2*20-;/m1111./s1
InChIKeyVVOSBEPFWMMYEU-PXPINWBLSA-N
MW2921.91 g/mol
LogP32.40
Rot. Bonds48

About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate (PubChem CID 161411911) has the molecular formula C159H135F22N19O12 and a molecular weight of 2921.91 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate.

Molecular Properties

Compound Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate
PubChem CID161411911
Molecular FormulaC159H135F22N19O12
Molecular Weight2921.91 g/mol
Exact Mass2920.02
IUPAC Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C3=CCCCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(=O)OC)c3c2COC3)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc3c(c2C(=O)OC)COC3)Cc2cc(F)cc(F)c2)ccc1F.COc1ccc2c(n1)C(CC(=O)CC(Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(C)cc1)=CC2
InChIInChI=1S/C34H30F6N4O.C32H24F8N4O.2C31H27F3N4O4.C31H27F2N3O2/c1-20(41)29-16-23(9-10-31(29)37)28-8-5-11-42-32(28)24(12-21-13-25(35)17-26(36)14-21)15-27(45)18-44-19-30(22-6-3-2-4-7-22)33(43-44)34(38,39)40;1-15(41)23-11-17(4-5-26(23)35)22-3-2-6-42-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-44-30-27(29(43-44)32(38,39)40)24-13-25(24)31(30,36)37;1-17(35)25-12-19(5-6-27(25)34)24-4-3-7-36-29(24)20(8-18-9-21(32)13-22(33)10-18)11-23(39)14-38-28-16-42-15-26(28)30(37-38)31(40)41-2;1-17(35)25-12-19(5-6-27(25)34)24-4-3-7-36-29(24)20(8-18-9-21(32)13-22(33)10-18)11-23(39)14-38-30(31(40)41-2)26-15-42-16-28(26)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/h5-6,8-11,13-14,16-17,19,24H,1-4,7,12,15,18,41H2;2-6,8-9,11-12,18,24-25H,1,7,10,13-14,41H2;2*3-7,9-10,12-13,20H,1,8,11,14-16,35H2,2H3;3-6,8-12,14-15,18,24H,7,13,16-17H2,1-2H3/t24-;18-,24?,25?;2*20-;/m1111./s1
InChIKeyVVOSBEPFWMMYEU-PXPINWBLSA-N
XLogP32.40
TPSA431.23 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002921.91
LogP ≤ 532.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate 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]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate (CID 161411911) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C3=CCCCC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(=O)OC)c3c2COC3)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc3c(c2C(=O)OC)COC3)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]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate?
The InChIKey is VVOSBEPFWMMYEU-PXPINWBLSA-N. The full InChI is InChI=1S/C34H30F6N4O.C32H24F8N4O.2C31H27F3N4O4.C31H27F2N3O2/c1-20(41)29-16-23(9-10-31(29)37)28-8-5-11-42-32(28)24(12-21-13-25(35)17-26(36)14-21)15-27(45)18-44-19-30(22-6-3-2-4-7-22)33(43-44)34(38,39)40;1-15(41)23-11-17(4-5-26(23)35)22-3-2-6-42-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-44-30-27(29(43-44)32(38,39)40)24-13-25(24)31(30,36)37;1-17(35)25-12-19(5-6-27(25)34)24-4-3-7-36-29(24)20(8-18-9-21(32)13-22(33)10-18)11-23(39)14-38-28-16-42-15-26(28)30(37-38)31(40)41-2;1-17(35)25-12-19(5-6-27(25)34)24-4-3-7-36-29(24)20(8-18-9-21(32)13-22(33)10-18)11-23(39)14-38-30(31(40)41-2)26-15-42-16-28(26)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/h5-6,8-11,13-14,16-17,19,24H,1-4,7,12,15,18,41H2;2-6,8-9,11-12,18,24-25H,1,7,10,13-14,41H2;2*3-7,9-10,12-13,20H,1,8,11,14-16,35H2,2H3;3-6,8-12,14-15,18,24H,7,13,16-17H2,1-2H3/t24-;18-,24?,25?;2*20-;/m1111./s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate has a molecular weight of 2921.91 g/mol, XLogP of 32.40, 48 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-(cyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-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;methyl 2-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 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-carboxylate is sourced from PubChem (CID 161411911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).