1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

C157H189F5N10O18 — CID 161010686

IUPAC1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCOCC2)c1
InChIInChI=1S/2C34H43FN2O4.2C30H35FN2O3.C29H33FN2O4/c1-5-39-31-10-11-33(34(20-31)41-23-25-12-14-37(4)15-13-25)27-7-8-29(36-21-27)19-30(38)9-6-26-16-28(35)18-32(17-26)40-22-24(2)3;1-4-39-31-12-13-33(34(22-31)40-17-16-37-14-6-5-7-15-37)27-9-10-29(36-23-27)21-30(38)11-8-26-18-28(35)20-32(19-26)41-24-25(2)3;1-3-35-28-11-12-29(30(19-28)36-21-23-13-15-33(2)16-14-23)24-8-9-26(32-20-24)18-27(34)10-7-22-5-4-6-25(31)17-22;1-2-35-28-13-14-29(30(21-28)36-18-17-33-15-4-3-5-16-33)24-10-11-26(32-22-24)20-27(34)12-9-23-7-6-8-25(31)19-23;1-2-35-27-10-11-28(29(20-27)36-17-14-32-12-15-34-16-13-32)23-7-8-25(31-21-23)19-26(33)9-6-22-4-3-5-24(30)18-22/h7-8,10-11,16-18,20-21,24-25H,5-6,9,12-15,19,22-23H2,1-4H3;9-10,12-13,18-20,22-23,25H,4-8,11,14-17,21,24H2,1-3H3;4-6,8-9,11-12,17,19-20,23H,3,7,10,13-16,18,21H2,1-2H3;6-8,10-11,13-14,19,21-22H,2-5,9,12,15-18,20H2,1H3;3-5,7-8,10-11,18,20-21H,2,6,9,12-17,19H2,1H3
InChIKeyTXBYCHYPPBJLGD-UHFFFAOYSA-N
MW2599.28 g/mol
LogP30.11
Rot. Bonds64

About 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one

1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (PubChem CID 161010686) has the molecular formula C157H189F5N10O18 and a molecular weight of 2599.28 g/mol. Its IUPAC name is 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
PubChem CID161010686
Molecular FormulaC157H189F5N10O18
Molecular Weight2599.28 g/mol
Exact Mass2597.41
IUPAC Name1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
SMILESCCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCOCC2)c1
InChIInChI=1S/2C34H43FN2O4.2C30H35FN2O3.C29H33FN2O4/c1-5-39-31-10-11-33(34(20-31)41-23-25-12-14-37(4)15-13-25)27-7-8-29(36-21-27)19-30(38)9-6-26-16-28(35)18-32(17-26)40-22-24(2)3;1-4-39-31-12-13-33(34(22-31)40-17-16-37-14-6-5-7-15-37)27-9-10-29(36-23-27)21-30(38)11-8-26-18-28(35)20-32(19-26)41-24-25(2)3;1-3-35-28-11-12-29(30(19-28)36-21-23-13-15-33(2)16-14-23)24-8-9-26(32-20-24)18-27(34)10-7-22-5-4-6-25(31)17-22;1-2-35-28-13-14-29(30(21-28)36-18-17-33-15-4-3-5-16-33)24-10-11-26(32-22-24)20-27(34)12-9-23-7-6-8-25(31)19-23;1-2-35-27-10-11-28(29(20-27)36-17-14-32-12-15-34-16-13-32)23-7-8-25(31-21-23)19-26(33)9-6-22-4-3-5-24(30)18-22/h7-8,10-11,16-18,20-21,24-25H,5-6,9,12-15,19,22-23H2,1-4H3;9-10,12-13,18-20,22-23,25H,4-8,11,14-17,21,24H2,1-3H3;4-6,8-9,11-12,17,19-20,23H,3,7,10,13-16,18,21H2,1-2H3;6-8,10-11,13-14,19,21-22H,2-5,9,12,15-18,20H2,1H3;3-5,7-8,10-11,18,20-21H,2,6,9,12-17,19H2,1H3
InChIKeyTXBYCHYPPBJLGD-UHFFFAOYSA-N
XLogP30.11
TPSA285.99 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds64
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002599.28
LogP ≤ 530.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The IUPAC name of 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one (CID 161010686) is 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one.
What is the SMILES notation for 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The canonical SMILES for 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cc(F)cc(OCC(C)C)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCC2CCN(C)CC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCCCC2)c1.CCOc1ccc(-c2ccc(CC(=O)CCc3cccc(F)c3)nc2)c(OCCN2CCOCC2)c1.
What is the InChIKey of 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
The InChIKey is TXBYCHYPPBJLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H43FN2O4.2C30H35FN2O3.C29H33FN2O4/c1-5-39-31-10-11-33(34(20-31)41-23-25-12-14-37(4)15-13-25)27-7-8-29(36-21-27)19-30(38)9-6-26-16-28(35)18-32(17-26)40-22-24(2)3;1-4-39-31-12-13-33(34(22-31)40-17-16-37-14-6-5-7-15-37)27-9-10-29(36-23-27)21-30(38)11-8-26-18-28(35)20-32(19-26)41-24-25(2)3;1-3-35-28-11-12-29(30(19-28)36-21-23-13-15-33(2)16-14-23)24-8-9-26(32-20-24)18-27(34)10-7-22-5-4-6-25(31)17-22;1-2-35-28-13-14-29(30(21-28)36-18-17-33-15-4-3-5-16-33)24-10-11-26(32-22-24)20-27(34)12-9-23-7-6-8-25(31)19-23;1-2-35-27-10-11-28(29(20-27)36-17-14-32-12-15-34-16-13-32)23-7-8-25(31-21-23)19-26(33)9-6-22-4-3-5-24(30)18-22/h7-8,10-11,16-18,20-21,24-25H,5-6,9,12-15,19,22-23H2,1-4H3;9-10,12-13,18-20,22-23,25H,4-8,11,14-17,21,24H2,1-3H3;4-6,8-9,11-12,17,19-20,23H,3,7,10,13-16,18,21H2,1-2H3;6-8,10-11,13-14,19,21-22H,2-5,9,12,15-18,20H2,1H3;3-5,7-8,10-11,18,20-21H,2,6,9,12-17,19H2,1H3.
What are the key properties of 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one?
1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one has a molecular weight of 2599.28 g/mol, XLogP of 30.11, 64 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[(1-methylpiperidin-4-yl)methoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one is sourced from PubChem (CID 161010686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).