(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one

C150H164F16N14O29 — CID 159162435

IUPAC(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one
SMILESCOc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCn1nn[nH]c1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O
InChIInChI=1S/C30H32F4N6O5.4C30H33F3N2O6/c1-17-13-18(5-7-21(17)31)22-15-20(28(2,3)35)16-26(36-22)29(43,30(32,33)34)10-9-23(41)19-6-8-24(25(14-19)44-4)45-12-11-40-27(42)37-38-39-40;4*1-17-5-7-19(8-6-17)26-27-21(28(3,34)16-41-27)14-25(35-26)29(38,30(31,32)33)12-11-22(37)20-9-10-23(24(13-20)39-4)40-15-18(2)36/h5-8,13-16,43H,9-12,35H2,1-4H3,(H,37,39,42);4*5-10,13-14,18,36,38H,11-12,15-16,34H2,1-4H3/t;18-,28+,29+;18-,28+,29-;18-,28-,29+;18-,28-,29-/m.0000/s1
InChIKeyKKQULLHPZCDJJT-BNFQBNMDSA-N
MW2931.00 g/mol
LogP23.39
Rot. Bonds52

About (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one

(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one (PubChem CID 159162435) has the molecular formula C150H164F16N14O29 and a molecular weight of 2931.00 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one.

Molecular Properties

Compound Name(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one
PubChem CID159162435
Molecular FormulaC150H164F16N14O29
Molecular Weight2931.00 g/mol
Exact Mass2929.15
IUPAC Name(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one
SMILESCOc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCn1nn[nH]c1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O
InChIInChI=1S/C30H32F4N6O5.4C30H33F3N2O6/c1-17-13-18(5-7-21(17)31)22-15-20(28(2,3)35)16-26(36-22)29(43,30(32,33)34)10-9-23(41)19-6-8-24(25(14-19)44-4)45-12-11-40-27(42)37-38-39-40;4*1-17-5-7-19(8-6-17)26-27-21(28(3,34)16-41-27)14-25(35-26)29(38,30(31,32)33)12-11-22(37)20-9-10-23(24(13-20)39-4)40-15-18(2)36/h5-8,13-16,43H,9-12,35H2,1-4H3,(H,37,39,42);4*5-10,13-14,18,36,38H,11-12,15-16,34H2,1-4H3/t;18-,28+,29+;18-,28+,29-;18-,28-,29+;18-,28-,29-/m.0000/s1
InChIKeyKKQULLHPZCDJJT-BNFQBNMDSA-N
XLogP23.39
TPSA654.76 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds52
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002931.00
LogP ≤ 523.39
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Analyze (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one?
The IUPAC name of (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one (CID 159162435) is (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one.
What is the SMILES notation for (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one?
The canonical SMILES for (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one is COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCn1nn[nH]c1=O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC[C@H](C)O.
What is the InChIKey of (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one?
The InChIKey is KKQULLHPZCDJJT-BNFQBNMDSA-N. The full InChI is InChI=1S/C30H32F4N6O5.4C30H33F3N2O6/c1-17-13-18(5-7-21(17)31)22-15-20(28(2,3)35)16-26(36-22)29(43,30(32,33)34)10-9-23(41)19-6-8-24(25(14-19)44-4)45-12-11-40-27(42)37-38-39-40;4*1-17-5-7-19(8-6-17)26-27-21(28(3,34)16-41-27)14-25(35-26)29(38,30(31,32)33)12-11-22(37)20-9-10-23(24(13-20)39-4)40-15-18(2)36/h5-8,13-16,43H,9-12,35H2,1-4H3,(H,37,39,42);4*5-10,13-14,18,36,38H,11-12,15-16,34H2,1-4H3/t;18-,28+,29+;18-,28+,29-;18-,28-,29+;18-,28-,29-/m.0000/s1.
What are the key properties of (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one?
(4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one has a molecular weight of 2931.00 g/mol, XLogP of 23.39, 52 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3R)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2S)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-[2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl]-1H-tetrazol-5-one is sourced from PubChem (CID 159162435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).