(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane

C115H128F7N17O18 — CID 164985342

About (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane

(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane (PubChem CID 164985342) has the molecular formula C115H128F7N17O18 and a molecular weight of 2169.38 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane.

Molecular Properties

• Compound Name: (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane
• PubChem CID: 164985342
• Molecular Formula: C115H128F7N17O18
• Molecular Weight: 2169.38 g/mol
• Exact Mass: 2167.95
• IUPAC Name: (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane
• SMILES: C.C.CC(C)(C)OC(=O)N[C@@]1(C)COc2c1cc([C@@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)cc2cn(C)nc12.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)NC(=O)OC(C)(C)C)cc2cn(C)nc12.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)cc2cn(C)nc12
• InChI: InChI=1S/C33H37FN4O6.C30H29FN6O4.C28H29FN4O4.C22H25F4N3O4.2CH4/c1-31(2,3)44-30(40)36-32(4)18-43-29-23(32)16-26(35-28(29)19-8-10-22(34)11-9-19)33(5,41)13-12-24(39)20-14-21-17-38(6)37-27(21)25(15-20)42-7;1-29(37-16-32-33-17-37)15-41-28-22(29)13-25(34-27(28)18-5-7-21(31)8-6-18)30(2,39)10-9-23(38)19-11-20-14-36(3)35-26(20)24(12-19)40-4;1-27(30)15-37-26-20(27)13-23(31-25(26)16-5-7-19(29)8-6-16)28(2,35)10-9-21(34)17-11-18-14-33(3)32-24(18)22(12-17)36-4;1-19(2,3)33-18(30)29-20(4)11-32-17-14(20)9-15(21(31,10-27)22(24,25)26)28-16(17)12-5-7-13(23)8-6-12;;/h8-11,14-17,41H,12-13,18H2,1-7H3,(H,36,40);5-8,11-14,16-17,39H,9-10,15H2,1-4H3;5-8,11-14,35H,9-10,15,30H2,1-4H3;5-9,31H,10-11,27H2,1-4H3,(H,29,30);2*1H4/t32-,33-;29-,30-;27-,28-;20-,21-;;/m0000../s1
• InChIKey: GBRLELUDWGTNLJ-NXJQGTSVSA-N
• XLogP: 19.41
• TPSA: 461.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.38
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane?

The IUPAC name of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane (CID 164985342) is (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane.

What is the SMILES notation for (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane?

The canonical SMILES for (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane is C.C.CC(C)(C)OC(=O)N[C@@]1(C)COc2c1cc([C@@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)cc2cn(C)nc12.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)NC(=O)OC(C)(C)C)cc2cn(C)nc12.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)cc2cn(C)nc12.

What is the InChIKey of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane?

The InChIKey is GBRLELUDWGTNLJ-NXJQGTSVSA-N. The full InChI is InChI=1S/C33H37FN4O6.C30H29FN6O4.C28H29FN4O4.C22H25F4N3O4.2CH4/c1-31(2,3)44-30(40)36-32(4)18-43-29-23(32)16-26(35-28(29)19-8-10-22(34)11-9-19)33(5,41)13-12-24(39)20-14-21-17-38(6)37-27(21)25(15-20)42-7;1-29(37-16-32-33-17-37)15-41-28-22(29)13-25(34-27(28)18-5-7-21(31)8-6-18)30(2,39)10-9-23(38)19-11-20-14-36(3)35-26(20)24(12-19)40-4;1-27(30)15-37-26-20(27)13-23(31-25(26)16-5-7-19(29)8-6-16)28(2,35)10-9-21(34)17-11-18-14-33(3)32-24(18)22(12-17)36-4;1-19(2,3)33-18(30)29-20(4)11-32-17-14(20)9-15(21(31,10-27)22(24,25)26)28-16(17)12-5-7-13(23)8-6-12;;/h8-11,14-17,41H,12-13,18H2,1-7H3,(H,36,40);5-8,11-14,16-17,39H,9-10,15H2,1-4H3;5-8,11-14,35H,9-10,15,30H2,1-4H3;5-9,31H,10-11,27H2,1-4H3,(H,29,30);2*1H4/t32-,33-;29-,30-;27-,28-;20-,21-;;/m0000../s1.

What are the key properties of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane?

(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane has a molecular weight of 2169.38 g/mol, XLogP of 19.41, 27 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;tert-butyl N-[(3R)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;tert-butyl N-[(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(7-methoxy-2-methylindazol-5-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]carbamate;(4S)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)pentan-1-one;methane is sourced from PubChem (CID 164985342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).