4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate

C155H175F11N12O26 — CID 159617189

IUPAC4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate
SMILESCCOc1ccc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OC[C@@]3(C)N)cc1OC.CCOc1ccc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OC[C@]3(C)N)cc1OC.COC(=O)CNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)NCCN)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NCC(N)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C33H36F4N2O6.C32H35F4N3O5.C32H38FN3O5.2C29H33FN2O5/c1-19-14-20(6-10-24(19)34)25-16-22(31(2,3)38-18-30(41)44-5)17-29(39-25)32(42,33(35,36)37)13-12-26(40)21-7-11-27(28(15-21)43-4)45-23-8-9-23;1-18-13-19(5-9-23(18)33)24-15-21(30(2,3)38-17-29(37)41)16-28(39-24)31(42,32(34,35)36)12-11-25(40)20-6-10-26(27(14-20)43-4)44-22-7-8-22;1-19-15-21(5-9-24(19)33)29-30-23(31(2,18-40-30)35-14-13-34)17-28(36-29)32(3,38)12-11-25(37)20-6-10-26(27(16-20)39-4)41-22-7-8-22;2*1-6-36-23-10-8-18(14-24(23)35-5)22(33)11-12-29(4,34)25-15-20-27(37-16-28(20,3)31)26(32-25)19-7-9-21(30)17(2)13-19/h6-7,10-11,14-17,23,38,42H,8-9,12-13,18H2,1-5H3;5-6,9-10,13-16,22,38,42H,7-8,11-12,17H2,1-4H3,(H2,37,41);5-6,9-10,15-17,22,35,38H,7-8,11-14,18,34H2,1-4H3;2*7-10,13-15,34H,6,11-12,16,31H2,1-5H3/t;;;28-,29+;28-,29-/m...01/s1
InChIKeyMNKUVLDVWJLHCC-RFXYZHBJSA-N
MW2831.14 g/mol
LogP26.48
Rot. Bonds56

About 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate

4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate (PubChem CID 159617189) has the molecular formula C155H175F11N12O26 and a molecular weight of 2831.14 g/mol. Its IUPAC name is 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate.

Molecular Properties

Compound Name4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate
PubChem CID159617189
Molecular FormulaC155H175F11N12O26
Molecular Weight2831.14 g/mol
Exact Mass2829.26
IUPAC Name4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate
SMILESCCOc1ccc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OC[C@@]3(C)N)cc1OC.CCOc1ccc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OC[C@]3(C)N)cc1OC.COC(=O)CNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)NCCN)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NCC(N)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C33H36F4N2O6.C32H35F4N3O5.C32H38FN3O5.2C29H33FN2O5/c1-19-14-20(6-10-24(19)34)25-16-22(31(2,3)38-18-30(41)44-5)17-29(39-25)32(42,33(35,36)37)13-12-26(40)21-7-11-27(28(15-21)43-4)45-23-8-9-23;1-18-13-19(5-9-23(18)33)24-15-21(30(2,3)38-17-29(37)41)16-28(39-24)31(42,32(34,35)36)12-11-25(40)20-6-10-26(27(14-20)43-4)44-22-7-8-22;1-19-15-21(5-9-24(19)33)29-30-23(31(2,18-40-30)35-14-13-34)17-28(36-29)32(3,38)12-11-25(37)20-6-10-26(27(16-20)39-4)41-22-7-8-22;2*1-6-36-23-10-8-18(14-24(23)35-5)22(33)11-12-29(4,34)25-15-20-27(37-16-28(20,3)31)26(32-25)19-7-9-21(30)17(2)13-19/h6-7,10-11,14-17,23,38,42H,8-9,12-13,18H2,1-5H3;5-6,9-10,13-16,22,38,42H,7-8,11-12,17H2,1-4H3,(H2,37,41);5-6,9-10,15-17,22,35,38H,7-8,11-14,18,34H2,1-4H3;2*7-10,13-15,34H,6,11-12,16,31H2,1-5H3/t;;;28-,29+;28-,29-/m...01/s1
InChIKeyMNKUVLDVWJLHCC-RFXYZHBJSA-N
XLogP26.48
TPSA554.48 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds56
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002831.14
LogP ≤ 526.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate?
The IUPAC name of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate (CID 159617189) is 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate.
What is the SMILES notation for 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate?
The canonical SMILES for 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate is CCOc1ccc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OC[C@@]3(C)N)cc1OC.CCOc1ccc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OC[C@]3(C)N)cc1OC.COC(=O)CNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)NCCN)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NCC(N)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate?
The InChIKey is MNKUVLDVWJLHCC-RFXYZHBJSA-N. The full InChI is InChI=1S/C33H36F4N2O6.C32H35F4N3O5.C32H38FN3O5.2C29H33FN2O5/c1-19-14-20(6-10-24(19)34)25-16-22(31(2,3)38-18-30(41)44-5)17-29(39-25)32(42,33(35,36)37)13-12-26(40)21-7-11-27(28(15-21)43-4)45-23-8-9-23;1-18-13-19(5-9-23(18)33)24-15-21(30(2,3)38-17-29(37)41)16-28(39-24)31(42,32(34,35)36)12-11-25(40)20-6-10-26(27(14-20)43-4)44-22-7-8-22;1-19-15-21(5-9-24(19)33)29-30-23(31(2,18-40-30)35-14-13-34)17-28(36-29)32(3,38)12-11-25(37)20-6-10-26(27(16-20)39-4)41-22-7-8-22;2*1-6-36-23-10-8-18(14-24(23)35-5)22(33)11-12-29(4,34)25-15-20-27(37-16-28(20,3)31)26(32-25)19-7-9-21(30)17(2)13-19/h6-7,10-11,14-17,23,38,42H,8-9,12-13,18H2,1-5H3;5-6,9-10,13-16,22,38,42H,7-8,11-12,17H2,1-4H3,(H2,37,41);5-6,9-10,15-17,22,35,38H,7-8,11-14,18,34H2,1-4H3;2*7-10,13-15,34H,6,11-12,16,31H2,1-5H3/t;;;28-,29+;28-,29-/m...01/s1.
What are the key properties of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate?
4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate has a molecular weight of 2831.14 g/mol, XLogP of 26.48, 56 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3R)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetamide;methyl 2-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-ylamino]acetate is sourced from PubChem (CID 159617189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).