[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone

C124H153F4N21O8 — CID 157053722

IUPAC[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)[C@H](CO)C2)c(C)c1CC1CCN(c2cnccn2)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@H](CO)C2)c(C)c1NC1CCN(c2ccc(F)cn2)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@H](CO)C2)c(C)c1CC1CCN(c2ccc(F)cn2)CC1.Cc1ccc(N2CCC(Cc3c(C)cc(C)c(C(=O)N4CCN(c5ccc(F)cn5)[C@H](CO)C4)c3C)CC2)nc1
InChIInChI=1S/C32H40FN5O2.2C31H38FN5O2.C30H37FN6O2/c1-21-5-7-29(34-17-21)36-11-9-25(10-12-36)16-28-22(2)15-23(3)31(24(28)4)32(40)37-13-14-38(27(19-37)20-39)30-8-6-26(33)18-35-30;1-21-16-22(2)30(31(39)36-14-15-37(26(19-36)20-38)29-6-4-5-11-33-29)23(3)27(21)17-24-9-12-35(13-10-24)28-8-7-25(32)18-34-28;1-21-17-22(2)30(34-25-11-13-35(14-12-25)28-10-9-24(32)18-33-28)23(3)29(21)31(39)36-15-16-37(27(19-36)20-38)26-7-5-4-6-8-26;1-20-14-21(2)29(22(3)26(20)15-23-6-10-35(11-7-23)28-17-32-8-9-33-28)30(39)36-12-13-37(25(18-36)19-38)27-5-4-24(31)16-34-27/h5-8,15,17-18,25,27,39H,9-14,16,19-20H2,1-4H3;4-8,11,16,18,24,26,38H,9-10,12-15,17,19-20H2,1-3H3;4-10,17-18,25,27,34,38H,11-16,19-20H2,1-3H3;4-5,8-9,14,16-17,23,25,38H,6-7,10-13,15,18-19H2,1-3H3/t27-;26-;27-;25-/m0000/s1
InChIKeyAAMRXARPGXMZMI-ZOFXJBTHSA-N
MW2141.72 g/mol
LogP17.22
Rot. Bonds24

About [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone

[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone (PubChem CID 157053722) has the molecular formula C124H153F4N21O8 and a molecular weight of 2141.72 g/mol. Its IUPAC name is [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone
PubChem CID157053722
Molecular FormulaC124H153F4N21O8
Molecular Weight2141.72 g/mol
Exact Mass2140.21
IUPAC Name[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)[C@H](CO)C2)c(C)c1CC1CCN(c2cnccn2)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@H](CO)C2)c(C)c1NC1CCN(c2ccc(F)cn2)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@H](CO)C2)c(C)c1CC1CCN(c2ccc(F)cn2)CC1.Cc1ccc(N2CCC(Cc3c(C)cc(C)c(C(=O)N4CCN(c5ccc(F)cn5)[C@H](CO)C4)c3C)CC2)nc1
InChIInChI=1S/C32H40FN5O2.2C31H38FN5O2.C30H37FN6O2/c1-21-5-7-29(34-17-21)36-11-9-25(10-12-36)16-28-22(2)15-23(3)31(24(28)4)32(40)37-13-14-38(27(19-37)20-39)30-8-6-26(33)18-35-30;1-21-16-22(2)30(31(39)36-14-15-37(26(19-36)20-38)29-6-4-5-11-33-29)23(3)27(21)17-24-9-12-35(13-10-24)28-8-7-25(32)18-34-28;1-21-17-22(2)30(34-25-11-13-35(14-12-25)28-10-9-24(32)18-33-28)23(3)29(21)31(39)36-15-16-37(27(19-36)20-38)26-7-5-4-6-8-26;1-20-14-21(2)29(22(3)26(20)15-23-6-10-35(11-7-23)28-17-32-8-9-33-28)30(39)36-12-13-37(25(18-36)19-38)27-5-4-24(31)16-34-27/h5-8,15,17-18,25,27,39H,9-14,16,19-20H2,1-4H3;4-8,11,16,18,24,26,38H,9-10,12-15,17,19-20H2,1-3H3;4-10,17-18,25,27,34,38H,11-16,19-20H2,1-3H3;4-5,8-9,14,16-17,23,25,38H,6-7,10-13,15,18-19H2,1-3H3/t27-;26-;27-;25-/m0000/s1
InChIKeyAAMRXARPGXMZMI-ZOFXJBTHSA-N
XLogP17.22
TPSA303.23 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.72
LogP ≤ 517.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)amino]phenyl]methanone
CID 139473858
[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyridazin-3-ylpiperidin-4-yl)methyl]phenyl]methanone
CID 161031497
2,4,6-trimethyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzoic acid
CID 158085610
tert-butyl 2,4,6-trimethyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzoate
CID 148682433
[(3S)-4-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyridazin-3-ylpiperidin-4-yl)amino]phenyl]methanone
CID 154975638
2-[4-[3-[(3S)-4-(3,4-difluorophenyl)-3-(hydroxymethyl)-5-oxopiperazine-1-carbonyl]-2,4,6-trimethylanilino]piperidin-1-yl]benzonitrile
CID 134499871
2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid
CID 134499996
3-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoic acid
CID 134493185
2-[4-[3-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 134507521
2-[4-[5-[(3R)-3-(hydroxymethyl)-4-phenylpiperazine-1-carbonyl]-2,4-dimethylanilino]piperidin-1-yl]benzonitrile
CID 134500074
N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43764057
1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine
CID 139473866

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone?
The IUPAC name of [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone (CID 157053722) is [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)[C@H](CO)C2)c(C)c1CC1CCN(c2cnccn2)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@H](CO)C2)c(C)c1NC1CCN(c2ccc(F)cn2)CC1.Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@H](CO)C2)c(C)c1CC1CCN(c2ccc(F)cn2)CC1.Cc1ccc(N2CCC(Cc3c(C)cc(C)c(C(=O)N4CCN(c5ccc(F)cn5)[C@H](CO)C4)c3C)CC2)nc1.
What is the InChIKey of [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone?
The InChIKey is AAMRXARPGXMZMI-ZOFXJBTHSA-N. The full InChI is InChI=1S/C32H40FN5O2.2C31H38FN5O2.C30H37FN6O2/c1-21-5-7-29(34-17-21)36-11-9-25(10-12-36)16-28-22(2)15-23(3)31(24(28)4)32(40)37-13-14-38(27(19-37)20-39)30-8-6-26(33)18-35-30;1-21-16-22(2)30(31(39)36-14-15-37(26(19-36)20-38)29-6-4-5-11-33-29)23(3)27(21)17-24-9-12-35(13-10-24)28-8-7-25(32)18-34-28;1-21-17-22(2)30(34-25-11-13-35(14-12-25)28-10-9-24(32)18-33-28)23(3)29(21)31(39)36-15-16-37(27(19-36)20-38)26-7-5-4-6-8-26;1-20-14-21(2)29(22(3)26(20)15-23-6-10-35(11-7-23)28-17-32-8-9-33-28)30(39)36-12-13-37(25(18-36)19-38)27-5-4-24(31)16-34-27/h5-8,15,17-18,25,27,39H,9-14,16,19-20H2,1-4H3;4-8,11,16,18,24,26,38H,9-10,12-15,17,19-20H2,1-3H3;4-10,17-18,25,27,34,38H,11-16,19-20H2,1-3H3;4-5,8-9,14,16-17,23,25,38H,6-7,10-13,15,18-19H2,1-3H3/t27-;26-;27-;25-/m0000/s1.
What are the key properties of [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone?
[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone has a molecular weight of 2141.72 g/mol, XLogP of 17.22, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]phenyl]methanone;[(3S)-4-(5-fluoro-2-pyridinyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]phenyl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-phenylpiperazin-1-yl]methanone;[3-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trimethylphenyl]-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 157053722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).