4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione

C164H167F7N10O28S2 — CID 172961171

IUPAC4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione
SMILESC/N=C(\CCC(=O)c1ccc(OC)c(OC)c1)c1cccc(-c2csc3c(C)cccc23)n1.CO/N=C(/CCC(=O)c1ccc(OC)c(OC)c1)c1cc(C)cc(-c2csc3c(C)cccc23)n1.COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(F)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(N)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO
InChIInChI=1S/C31H31FN2O6.C28H28N2O4S.C27H26N2O3S.C26H26F3NO5.C26H27F2NO5.C26H29FN2O5/c1-17-13-19(5-7-21(17)32)28-29-20(31(2,3)16-39-29)15-22(34-28)24(36)9-8-23(35)18-6-10-25(27(14-18)38-4)40-26-11-12-33-30(26)37;1-17-13-23(21-16-35-28-18(2)7-6-8-20(21)28)29-24(14-17)22(30-34-5)10-11-25(31)19-9-12-26(32-3)27(15-19)33-4;1-17-7-5-8-19-20(16-33-27(17)19)21-9-6-10-23(29-21)22(28-2)12-13-24(30)18-11-14-25(31-3)26(15-18)32-4;1-16-14-18(4-6-19(16)27)25-22(33-2)8-9-24(30-25)26(28,29)11-10-20(32)17-5-7-21(35-13-12-31)23(15-17)34-3;2*1-16-14-18(4-6-19(16)27)26-24(32-2)11-8-21(29-26)20(28)7-9-22(31)17-5-10-23(34-13-12-30)25(15-17)33-3/h5-7,10,13-15,26H,8-9,11-12,16H2,1-4H3,(H,33,37);6-9,12-16H,10-11H2,1-5H3;5-11,14-16H,12-13H2,1-4H3;4-9,14-15,31H,10-13H2,1-3H3;4-6,8,10-11,14-15,20,30H,7,9,12-13H2,1-3H3;4-6,8,10-11,14-15,20,30H,7,9,12-13,28H2,1-3H3/b;30-22-;28-22+;;;
InChIKeyFYYRMOQYZFDECM-UKBMPGDWSA-N
MW2923.30 g/mol
LogP32.81
Rot. Bonds59

About 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione

4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione (PubChem CID 172961171) has the molecular formula C164H167F7N10O28S2 and a molecular weight of 2923.30 g/mol. Its IUPAC name is 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione.

Molecular Properties

Compound Name4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione
PubChem CID172961171
Molecular FormulaC164H167F7N10O28S2
Molecular Weight2923.30 g/mol
Exact Mass2921.13
IUPAC Name4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione
SMILESC/N=C(\CCC(=O)c1ccc(OC)c(OC)c1)c1cccc(-c2csc3c(C)cccc23)n1.CO/N=C(/CCC(=O)c1ccc(OC)c(OC)c1)c1cc(C)cc(-c2csc3c(C)cccc23)n1.COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(F)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(N)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO
InChIInChI=1S/C31H31FN2O6.C28H28N2O4S.C27H26N2O3S.C26H26F3NO5.C26H27F2NO5.C26H29FN2O5/c1-17-13-19(5-7-21(17)32)28-29-20(31(2,3)16-39-29)15-22(34-28)24(36)9-8-23(35)18-6-10-25(27(14-18)38-4)40-26-11-12-33-30(26)37;1-17-13-23(21-16-35-28-18(2)7-6-8-20(21)28)29-24(14-17)22(30-34-5)10-11-25(31)19-9-12-26(32-3)27(15-19)33-4;1-17-7-5-8-19-20(16-33-27(17)19)21-9-6-10-23(29-21)22(28-2)12-13-24(30)18-11-14-25(31-3)26(15-18)32-4;1-16-14-18(4-6-19(16)27)25-22(33-2)8-9-24(30-25)26(28,29)11-10-20(32)17-5-7-21(35-13-12-31)23(15-17)34-3;2*1-16-14-18(4-6-19(16)27)26-24(32-2)11-8-21(29-26)20(28)7-9-22(31)17-5-10-23(34-13-12-30)25(15-17)33-3/h5-7,10,13-15,26H,8-9,11-12,16H2,1-4H3,(H,33,37);6-9,12-16H,10-11H2,1-5H3;5-11,14-16H,12-13H2,1-4H3;4-9,14-15,31H,10-13H2,1-3H3;4-6,8,10-11,14-15,20,30H,7,9,12-13H2,1-3H3;4-6,8,10-11,14-15,20,30H,7,9,12-13,28H2,1-3H3/b;30-22-;28-22+;;;
InChIKeyFYYRMOQYZFDECM-UKBMPGDWSA-N
XLogP32.81
TPSA494.27 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds59
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002923.30
LogP ≤ 532.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
The IUPAC name of 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione (CID 172961171) is 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione.
What is the SMILES notation for 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
The canonical SMILES for 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione is C/N=C(\CCC(=O)c1ccc(OC)c(OC)c1)c1cccc(-c2csc3c(C)cccc23)n1.CO/N=C(/CCC(=O)c1ccc(OC)c(OC)c1)c1cc(C)cc(-c2csc3c(C)cccc23)n1.COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OC1CCNC1=O.COc1cc(C(=O)CCC(F)(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(F)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(N)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.
What is the InChIKey of 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
The InChIKey is FYYRMOQYZFDECM-UKBMPGDWSA-N. The full InChI is InChI=1S/C31H31FN2O6.C28H28N2O4S.C27H26N2O3S.C26H26F3NO5.C26H27F2NO5.C26H29FN2O5/c1-17-13-19(5-7-21(17)32)28-29-20(31(2,3)16-39-29)15-22(34-28)24(36)9-8-23(35)18-6-10-25(27(14-18)38-4)40-26-11-12-33-30(26)37;1-17-13-23(21-16-35-28-18(2)7-6-8-20(21)28)29-24(14-17)22(30-34-5)10-11-25(31)19-9-12-26(32-3)27(15-19)33-4;1-17-7-5-8-19-20(16-33-27(17)19)21-9-6-10-23(29-21)22(28-2)12-13-24(30)18-11-14-25(31-3)26(15-18)32-4;1-16-14-18(4-6-19(16)27)25-22(33-2)8-9-24(30-25)26(28,29)11-10-20(32)17-5-7-21(35-13-12-31)23(15-17)34-3;2*1-16-14-18(4-6-19(16)27)26-24(32-2)11-8-21(29-26)20(28)7-9-22(31)17-5-10-23(34-13-12-30)25(15-17)33-3/h5-7,10,13-15,26H,8-9,11-12,16H2,1-4H3,(H,33,37);6-9,12-16H,10-11H2,1-5H3;5-11,14-16H,12-13H2,1-4H3;4-9,14-15,31H,10-13H2,1-3H3;4-6,8,10-11,14-15,20,30H,7,9,12-13H2,1-3H3;4-6,8,10-11,14-15,20,30H,7,9,12-13,28H2,1-3H3/b;30-22-;28-22+;;;.
What are the key properties of 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione has a molecular weight of 2923.30 g/mol, XLogP of 32.81, 59 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;(4Z)-1-(3,4-dimethoxyphenyl)-4-methoxyimino-4-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-methyliminobutan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione is sourced from PubChem (CID 172961171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).