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)pyrrol-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;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

C152H129F17N18O15 — CID 159522861

IUPAC1-[(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)pyrrol-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;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)Cn2ccc(C(F)(F)F)c2)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(=O)OC)c3c2COC3)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/2C31H27F3N4O4.C31H27F2N3O2.C30H25F3N4O4.C29H23F6N3O/c1-17(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;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;1-17(36)26-13-19(4-5-27(26)32)25-3-2-7-37-28(25)20(9-18-10-22(30)14-23(31)11-18)12-24(39)16-38-8-6-21(15-38)29(33,34)35/h2*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;2-6,8-9,11-12,19H,1,7,10,13-15,34H2,(H,39,40);2-8,10-11,13-15,20H,1,9,12,16,36H2/t2*20-;;19-;20-/m11.11/s1
InChIKeyMCAITUMDQIDOTE-WKDKTKRKSA-N
MW2770.78 g/mol
LogP28.54
Rot. Bonds48

About 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)pyrrol-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;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

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)pyrrol-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;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 159522861) has the molecular formula C152H129F17N18O15 and a molecular weight of 2770.78 g/mol. Its IUPAC name is 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)pyrrol-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;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 Name1-[(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)pyrrol-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;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 CID159522861
Molecular FormulaC152H129F17N18O15
Molecular Weight2770.78 g/mol
Exact Mass2768.96
IUPAC Name1-[(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)pyrrol-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;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)Cn2ccc(C(F)(F)F)c2)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(=O)OC)c3c2COC3)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/2C31H27F3N4O4.C31H27F2N3O2.C30H25F3N4O4.C29H23F6N3O/c1-17(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;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;1-17(36)26-13-19(4-5-27(26)32)25-3-2-7-37-28(25)20(9-18-10-22(30)14-23(31)11-18)12-24(39)16-38-8-6-21(15-38)29(33,34)35/h2*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;2-6,8-9,11-12,19H,1,7,10,13-15,34H2,(H,39,40);2-8,10-11,13-15,20H,1,9,12,16,36H2/t2*20-;;19-;20-/m11.11/s1
InChIKeyMCAITUMDQIDOTE-WKDKTKRKSA-N
XLogP28.54
TPSA464.87 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002770.78
LogP ≤ 528.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 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)pyrrol-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;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 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)pyrrol-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;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 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)pyrrol-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;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 159522861) is 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)pyrrol-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;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 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)pyrrol-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;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 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)pyrrol-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;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)Cn2ccc(C(F)(F)F)c2)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(=O)OC)c3c2COC3)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 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)pyrrol-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;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 MCAITUMDQIDOTE-WKDKTKRKSA-N. The full InChI is InChI=1S/2C31H27F3N4O4.C31H27F2N3O2.C30H25F3N4O4.C29H23F6N3O/c1-17(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;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;1-17(36)26-13-19(4-5-27(26)32)25-3-2-7-37-28(25)20(9-18-10-22(30)14-23(31)11-18)12-24(39)16-38-8-6-21(15-38)29(33,34)35/h2*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;2-6,8-9,11-12,19H,1,7,10,13-15,34H2,(H,39,40);2-8,10-11,13-15,20H,1,9,12,16,36H2/t2*20-;;19-;20-/m11.11/s1.
What are the key properties of 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)pyrrol-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;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?
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)pyrrol-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;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 2770.78 g/mol, XLogP of 28.54, 48 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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)pyrrol-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;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 159522861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).