5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one

C184H213F6N15O36 — CID 167644371

IUPAC5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(CN2CCCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCCCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCNCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CNC2CC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO
InChIInChI=1S/C32H39FN2O6.C31H38FN3O6.C31H37FN2O6.2C30H32FN3O6.C30H35FN2O6/c1-22-19-24(7-9-25(22)33)31-28(39-2)11-12-30(34-31)32(38,21-35-15-5-4-6-16-35)14-13-26(37)23-8-10-27(41-18-17-36)29(20-23)40-3;1-21-18-23(4-6-24(21)32)30-27(39-2)8-9-29(34-30)31(38,20-35-14-12-33-13-15-35)11-10-25(37)22-5-7-26(41-17-16-36)28(19-22)40-3;1-21-18-23(6-8-24(21)32)30-27(38-2)10-11-29(33-30)31(37,20-34-14-4-5-15-34)13-12-25(36)22-7-9-26(40-17-16-35)28(19-22)39-3;2*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(4-8-23(19)31)29-26(37-2)10-11-28(33-29)30(36,18-32-22-6-7-22)13-12-24(35)20-5-9-25(39-15-14-34)27(17-20)38-3/h7-12,19-20,36,38H,4-6,13-18,21H2,1-3H3;4-9,18-19,33,36,38H,10-17,20H2,1-3H3;6-11,18-19,35,37H,4-5,12-17,20H2,1-3H3;2*4-10,13-14,17-18,35,37H,11-12,15-16,19H2,1-3H3;4-5,8-11,16-17,22,32,34,36H,6-7,12-15,18H2,1-3H3/t;;;2*30-;/m...10./s1
InChIKeyPQEMTAVKKXROLI-LSFGYUHDSA-N
MW3324.78 g/mol
LogP25.64
Rot. Bonds79

About 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one

5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one (PubChem CID 167644371) has the molecular formula C184H213F6N15O36 and a molecular weight of 3324.78 g/mol. Its IUPAC name is 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one
PubChem CID167644371
Molecular FormulaC184H213F6N15O36
Molecular Weight3324.78 g/mol
Exact Mass3322.52
IUPAC Name5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(CN2CCCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCCCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCNCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CNC2CC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO
InChIInChI=1S/C32H39FN2O6.C31H38FN3O6.C31H37FN2O6.2C30H32FN3O6.C30H35FN2O6/c1-22-19-24(7-9-25(22)33)31-28(39-2)11-12-30(34-31)32(38,21-35-15-5-4-6-16-35)14-13-26(37)23-8-10-27(41-18-17-36)29(20-23)40-3;1-21-18-23(4-6-24(21)32)30-27(39-2)8-9-29(34-30)31(38,20-35-14-12-33-13-15-35)11-10-25(37)22-5-7-26(41-17-16-36)28(19-22)40-3;1-21-18-23(6-8-24(21)32)30-27(38-2)10-11-29(33-30)31(37,20-34-14-4-5-15-34)13-12-25(36)22-7-9-26(40-17-16-35)28(19-22)39-3;2*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(4-8-23(19)31)29-26(37-2)10-11-28(33-29)30(36,18-32-22-6-7-22)13-12-24(35)20-5-9-25(39-15-14-34)27(17-20)38-3/h7-12,19-20,36,38H,4-6,13-18,21H2,1-3H3;4-9,18-19,33,36,38H,10-17,20H2,1-3H3;6-11,18-19,35,37H,4-5,12-17,20H2,1-3H3;2*4-10,13-14,17-18,35,37H,11-12,15-16,19H2,1-3H3;4-5,8-11,16-17,22,32,34,36H,6-7,12-15,18H2,1-3H3/t;;;2*30-;/m...10./s1
InChIKeyPQEMTAVKKXROLI-LSFGYUHDSA-N
XLogP25.64
TPSA658.08 Ų
H-Bond Donors14
H-Bond Acceptors51
Rotatable Bonds79
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003324.78
LogP ≤ 525.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1051

Analyze 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one (CID 167644371) is 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one is COc1cc(C(=O)CCC(O)(CN2CCCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCCCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CN2CCNCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(CNC2CC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(Cn2cccn2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.
What is the InChIKey of 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one?
The InChIKey is PQEMTAVKKXROLI-LSFGYUHDSA-N. The full InChI is InChI=1S/C32H39FN2O6.C31H38FN3O6.C31H37FN2O6.2C30H32FN3O6.C30H35FN2O6/c1-22-19-24(7-9-25(22)33)31-28(39-2)11-12-30(34-31)32(38,21-35-15-5-4-6-16-35)14-13-26(37)23-8-10-27(41-18-17-36)29(20-23)40-3;1-21-18-23(4-6-24(21)32)30-27(39-2)8-9-29(34-30)31(38,20-35-14-12-33-13-15-35)11-10-25(37)22-5-7-26(41-17-16-36)28(19-22)40-3;1-21-18-23(6-8-24(21)32)30-27(38-2)10-11-29(33-30)31(37,20-34-14-4-5-15-34)13-12-25(36)22-7-9-26(40-17-16-35)28(19-22)39-3;2*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(4-8-23(19)31)29-26(37-2)10-11-28(33-29)30(36,18-32-22-6-7-22)13-12-24(35)20-5-9-25(39-15-14-34)27(17-20)38-3/h7-12,19-20,36,38H,4-6,13-18,21H2,1-3H3;4-9,18-19,33,36,38H,10-17,20H2,1-3H3;6-11,18-19,35,37H,4-5,12-17,20H2,1-3H3;2*4-10,13-14,17-18,35,37H,11-12,15-16,19H2,1-3H3;4-5,8-11,16-17,22,32,34,36H,6-7,12-15,18H2,1-3H3/t;;;2*30-;/m...10./s1.
What are the key properties of 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one?
5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one has a molecular weight of 3324.78 g/mol, XLogP of 25.64, 79 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-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-piperazin-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-piperidin-1-ylpentan-1-one;(4R)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;(4S)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrazol-1-ylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 167644371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).