2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one

C179H209F6N15O40 — CID 167640036

IUPAC2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(CN(C)C)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN(CCN)CC(=O)O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCNC(=O)C2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCOCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO
InChIInChI=1S/C31H38FN3O8.C31H36FN3O7.C31H37FN2O7.C30H32FN3O6.C29H35FN2O6.C27H31FN2O6/c1-20-16-22(4-6-23(20)32)30-26(41-2)8-9-28(34-30)31(40,19-35(13-12-33)18-29(38)39)11-10-24(37)21-5-7-25(43-15-14-36)27(17-21)42-3;1-20-16-22(4-6-23(20)32)30-26(40-2)8-9-28(34-30)31(39,19-35-13-12-33-29(38)18-35)11-10-24(37)21-5-7-25(42-15-14-36)27(17-21)41-3;1-21-18-23(4-6-24(21)32)30-27(38-2)8-9-29(33-30)31(37,20-34-12-15-40-16-13-34)11-10-25(36)22-5-7-26(41-17-14-35)28(19-22)39-3;1-20-17-22(5-7-23(20)31)29-26(38-2)9-10-28(33-29)30(37,19-34-14-4-13-32-34)12-11-24(36)21-6-8-25(40-16-15-35)27(18-21)39-3;1-19-16-21(6-8-22(19)30)28-25(36-4)10-11-27(31-28)29(35,18-32(2)3)13-12-23(34)20-7-9-24(38-15-14-33)26(17-20)37-5;1-17-14-19(4-6-20(17)28)26-23(34-2)8-9-25(30-26)27(33,16-29)11-10-21(32)18-5-7-22(36-13-12-31)24(15-18)35-3/h4-9,16-17,36,40H,10-15,18-19,33H2,1-3H3,(H,38,39);4-9,16-17,36,39H,10-15,18-19H2,1-3H3,(H,33,38);4-9,18-19,35,37H,10-17,20H2,1-3H3;4-10,13-14,17-18,35,37H,11-12,15-16,19H2,1-3H3;6-11,16-17,33,35H,12-15,18H2,1-5H3;4-9,14-15,31,33H,10-13,16,29H2,1-3H3
InChIKeyPASXTOXSRBAEND-UHFFFAOYSA-N
MW3324.69 g/mol
LogP21.14
Rot. Bonds81

About 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one

2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one (PubChem CID 167640036) has the molecular formula C179H209F6N15O40 and a molecular weight of 3324.69 g/mol. Its IUPAC name is 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one.

Molecular Properties

Compound Name2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one
PubChem CID167640036
Molecular FormulaC179H209F6N15O40
Molecular Weight3324.69 g/mol
Exact Mass3322.47
IUPAC Name2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(CN(C)C)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN(CCN)CC(=O)O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCNC(=O)C2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCOCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO
InChIInChI=1S/C31H38FN3O8.C31H36FN3O7.C31H37FN2O7.C30H32FN3O6.C29H35FN2O6.C27H31FN2O6/c1-20-16-22(4-6-23(20)32)30-26(41-2)8-9-28(34-30)31(40,19-35(13-12-33)18-29(38)39)11-10-24(37)21-5-7-25(43-15-14-36)27(17-21)42-3;1-20-16-22(4-6-23(20)32)30-26(40-2)8-9-28(34-30)31(39,19-35-13-12-33-29(38)18-35)11-10-24(37)21-5-7-25(42-15-14-36)27(17-21)41-3;1-21-18-23(4-6-24(21)32)30-27(38-2)8-9-29(33-30)31(37,20-34-12-15-40-16-13-34)11-10-25(36)22-5-7-26(41-17-14-35)28(19-22)39-3;1-20-17-22(5-7-23(20)31)29-26(38-2)9-10-28(33-29)30(37,19-34-14-4-13-32-34)12-11-24(36)21-6-8-25(40-16-15-35)27(18-21)39-3;1-19-16-21(6-8-22(19)30)28-25(36-4)10-11-27(31-28)29(35,18-32(2)3)13-12-23(34)20-7-9-24(38-15-14-33)26(17-20)37-5;1-17-14-19(4-6-20(17)28)26-23(34-2)8-9-25(30-26)27(33,16-29)11-10-21(32)18-5-7-22(36-13-12-31)24(15-18)35-3/h4-9,16-17,36,40H,10-15,18-19,33H2,1-3H3,(H,38,39);4-9,16-17,36,39H,10-15,18-19H2,1-3H3,(H,33,38);4-9,18-19,35,37H,10-17,20H2,1-3H3;4-10,13-14,17-18,35,37H,11-12,15-16,19H2,1-3H3;6-11,16-17,33,35H,12-15,18H2,1-5H3;4-9,14-15,31,33H,10-13,16,29H2,1-3H3
InChIKeyPASXTOXSRBAEND-UHFFFAOYSA-N
XLogP21.14
TPSA747.11 Ų
H-Bond Donors16
H-Bond Acceptors53
Rotatable Bonds81
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003324.69
LogP ≤ 521.14
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1053

Analyze 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one?
The IUPAC name of 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one (CID 167640036) is 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one.
What is the SMILES notation for 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one?
The canonical SMILES for 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one is COc1cc(C(=O)CCC(O)(CN(C)C)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN(CCN)CC(=O)O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCNC(=O)C2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCOCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.
What is the InChIKey of 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one?
The InChIKey is PASXTOXSRBAEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN3O8.C31H36FN3O7.C31H37FN2O7.C30H32FN3O6.C29H35FN2O6.C27H31FN2O6/c1-20-16-22(4-6-23(20)32)30-26(41-2)8-9-28(34-30)31(40,19-35(13-12-33)18-29(38)39)11-10-24(37)21-5-7-25(43-15-14-36)27(17-21)42-3;1-20-16-22(4-6-23(20)32)30-26(40-2)8-9-28(34-30)31(39,19-35-13-12-33-29(38)18-35)11-10-24(37)21-5-7-25(42-15-14-36)27(17-21)41-3;1-21-18-23(4-6-24(21)32)30-27(38-2)8-9-29(33-30)31(37,20-34-12-15-40-16-13-34)11-10-25(36)22-5-7-26(41-17-14-35)28(19-22)39-3;1-20-17-22(5-7-23(20)31)29-26(38-2)9-10-28(33-29)30(37,19-34-14-4-13-32-34)12-11-24(36)21-6-8-25(40-16-15-35)27(18-21)39-3;1-19-16-21(6-8-22(19)30)28-25(36-4)10-11-27(31-28)29(35,18-32(2)3)13-12-23(34)20-7-9-24(38-15-14-33)26(17-20)37-5;1-17-14-19(4-6-20(17)28)26-23(34-2)8-9-25(30-26)27(33,16-29)11-10-21(32)18-5-7-22(36-13-12-31)24(15-18)35-3/h4-9,16-17,36,40H,10-15,18-19,33H2,1-3H3,(H,38,39);4-9,16-17,36,39H,10-15,18-19H2,1-3H3,(H,33,38);4-9,18-19,35,37H,10-17,20H2,1-3H3;4-10,13-14,17-18,35,37H,11-12,15-16,19H2,1-3H3;6-11,16-17,33,35H,12-15,18H2,1-5H3;4-9,14-15,31,33H,10-13,16,29H2,1-3H3.
What are the key properties of 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one?
2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one has a molecular weight of 3324.69 g/mol, XLogP of 21.14, 81 rotatable bonds, 16 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]amino]acetic acid;5-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one;4-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentyl]piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one is sourced from PubChem (CID 167640036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).