(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid

C61H57F12N5O10S — CID 157247715

About (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid (PubChem CID 157247715) has the molecular formula C61H57F12N5O10S and a molecular weight of 1280.19 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid
• PubChem CID: 157247715
• Molecular Formula: C61H57F12N5O10S
• Molecular Weight: 1280.19 g/mol
• Exact Mass: 1279.36
• IUPAC Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid
• SMILES: CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.C[C@@]1(N)COc2c1cc([C@](O)(CCC(=O)c1cc3c(c(OC(F)F)c1)CC=C3)C(F)(F)F)nc2-c1ccc(F)cc1.O=C(O)c1cc2c(c(OC(F)F)c1)CC=C2
• InChI: InChI=1S/C29H24F6N2O4.C21H25F4N3O3S.C11H8F2O3/c1-27(36)14-40-25-20(27)13-23(37-24(25)15-5-7-18(30)8-6-15)28(39,29(33,34)35)10-9-21(38)17-11-16-3-2-4-19(16)22(12-17)41-26(31)32;1-18(2,3)32(30)28-19(4)11-31-17-14(19)9-15(20(29,10-26)21(23,24)25)27-16(17)12-5-7-13(22)8-6-12;12-11(13)16-9-5-7(10(14)15)4-6-2-1-3-8(6)9/h2-3,5-8,11-13,26,39H,4,9-10,14,36H2,1H3;5-9,28-29H,10-11,26H2,1-4H3;1-2,4-5,11H,3H2,(H,14,15)/t27-,28-;19-,20-,32?;/m11./s1
• InChIKey: AVZBNUNXPMJGEL-JAXVTXPESA-N
• XLogP: 11.85
• TPSA: 238.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1280.19
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid?

The IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid (CID 157247715) is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid.

What is the SMILES notation for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid?

The canonical SMILES for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid is CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.C[C@@]1(N)COc2c1cc([C@](O)(CCC(=O)c1cc3c(c(OC(F)F)c1)CC=C3)C(F)(F)F)nc2-c1ccc(F)cc1.O=C(O)c1cc2c(c(OC(F)F)c1)CC=C2.

What is the InChIKey of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid?

The InChIKey is AVZBNUNXPMJGEL-JAXVTXPESA-N. The full InChI is InChI=1S/C29H24F6N2O4.C21H25F4N3O3S.C11H8F2O3/c1-27(36)14-40-25-20(27)13-23(37-24(25)15-5-7-18(30)8-6-15)28(39,29(33,34)35)10-9-21(38)17-11-16-3-2-4-19(16)22(12-17)41-26(31)32;1-18(2,3)32(30)28-19(4)11-31-17-14(19)9-15(20(29,10-26)21(23,24)25)27-16(17)12-5-7-13(22)8-6-12;12-11(13)16-9-5-7(10(14)15)4-6-2-1-3-8(6)9/h2-3,5-8,11-13,26,39H,4,9-10,14,36H2,1H3;5-9,28-29H,10-11,26H2,1-4H3;1-2,4-5,11H,3H2,(H,14,15)/t27-,28-;19-,20-,32?;/m11./s1.

What are the key properties of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid?

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid has a molecular weight of 1280.19 g/mol, XLogP of 11.85, 16 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-[7-(difluoromethoxy)-1H-inden-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one;N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;7-(difluoromethoxy)-1H-indene-5-carboxylic acid is sourced from PubChem (CID 157247715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).