2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone

C98H120Cl4F4N12O10 — CID 162133966

IUPAC2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone
SMILESCC1(C)CC[C@@H](C(=O)Cc2cc(-c3ccc(F)c(NCC4CCOCC4)c3)c(Cl)cn2)CN1.CC1(CNc2cc(-c3cc(CC(=O)[C@@H]4CCCNC4)ncc3Cl)ccc2F)CCOCC1.O=C(Cc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1)[C@@H]1CNCCOC1.O=C(Cc1cc(-c2ccc(F)c(NCC3CCOCC3)c2)c(Cl)cn1)[C@H]1CNCCO1
InChIInChI=1S/C26H33ClFN3O2.C25H31ClFN3O2.C24H29ClFN3O3.C23H27ClFN3O3/c1-26(2)8-5-19(15-31-26)25(32)13-20-12-21(22(27)16-29-20)18-3-4-23(28)24(11-18)30-14-17-6-9-33-10-7-17;1-25(6-9-32-10-7-25)16-30-23-11-17(4-5-22(23)27)20-12-19(29-15-21(20)26)13-24(31)18-3-2-8-28-14-18;25-22-14-29-19(11-24(30)17-13-27-5-8-32-15-17)10-20(22)21-9-18(1-2-23(21)26)28-12-16-3-6-31-7-4-16;24-19-13-27-17(11-22(29)23-14-26-5-8-31-23)10-18(19)16-1-2-20(25)21(9-16)28-12-15-3-6-30-7-4-15/h3-4,11-12,16-17,19,30-31H,5-10,13-15H2,1-2H3;4-5,11-12,15,18,28,30H,2-3,6-10,13-14,16H2,1H3;1-2,9-10,14,16-17,27-28H,3-8,11-13,15H2;1-2,9-10,13,15,23,26,28H,3-8,11-12,14H2/t19-;18-;17-;23-/m1111/s1
InChIKeyZJAHHNBHTRLRJO-BBLWLCILSA-N
MW1843.92 g/mol
LogP17.36
Rot. Bonds28

About 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone

2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone (PubChem CID 162133966) has the molecular formula C98H120Cl4F4N12O10 and a molecular weight of 1843.92 g/mol. Its IUPAC name is 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone.

Molecular Properties

Compound Name2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone
PubChem CID162133966
Molecular FormulaC98H120Cl4F4N12O10
Molecular Weight1843.92 g/mol
Exact Mass1840.79
IUPAC Name2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone
SMILESCC1(C)CC[C@@H](C(=O)Cc2cc(-c3ccc(F)c(NCC4CCOCC4)c3)c(Cl)cn2)CN1.CC1(CNc2cc(-c3cc(CC(=O)[C@@H]4CCCNC4)ncc3Cl)ccc2F)CCOCC1.O=C(Cc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1)[C@@H]1CNCCOC1.O=C(Cc1cc(-c2ccc(F)c(NCC3CCOCC3)c2)c(Cl)cn1)[C@H]1CNCCO1
InChIInChI=1S/C26H33ClFN3O2.C25H31ClFN3O2.C24H29ClFN3O3.C23H27ClFN3O3/c1-26(2)8-5-19(15-31-26)25(32)13-20-12-21(22(27)16-29-20)18-3-4-23(28)24(11-18)30-14-17-6-9-33-10-7-17;1-25(6-9-32-10-7-25)16-30-23-11-17(4-5-22(23)27)20-12-19(29-15-21(20)26)13-24(31)18-3-2-8-28-14-18;25-22-14-29-19(11-24(30)17-13-27-5-8-32-15-17)10-20(22)21-9-18(1-2-23(21)26)28-12-16-3-6-31-7-4-16;24-19-13-27-17(11-22(29)23-14-26-5-8-31-23)10-18(19)16-1-2-20(25)21(9-16)28-12-15-3-6-30-7-4-15/h3-4,11-12,16-17,19,30-31H,5-10,13-15H2,1-2H3;4-5,11-12,15,18,28,30H,2-3,6-10,13-14,16H2,1H3;1-2,9-10,14,16-17,27-28H,3-8,11-13,15H2;1-2,9-10,13,15,23,26,28H,3-8,11-12,14H2/t19-;18-;17-;23-/m1111/s1
InChIKeyZJAHHNBHTRLRJO-BBLWLCILSA-N
XLogP17.36
TPSA271.46 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001843.92
LogP ≤ 517.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-chloro-4-[4-chloro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[3-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-morpholin-2-ylethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[3-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3S)-piperidin-3-yl]ethanone
CID 160686892
2-[5-chloro-4-[3-[(4-ethyloxan-4-yl)methylamino]-4-fluorophenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-[(4-methoxyoxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3S,6S)-6-ethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6S)-1,4-oxazepan-6-yl]ethanone
CID 159207451
2-[5-chloro-4-[4-fluoro-3-[(4-methoxyoxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 159207453
2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R,6R)-6-ethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3S,6S)-6-ethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6S)-1,4-oxazepan-6-yl]ethanone
CID 158588631
2-[5-fluoro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 159699648
2-[5-chloro-4-[3-[[(3S)-oxan-3-yl]methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 158548925
2-[5-chloro-4-[3-(cyclopropylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 157366170
2-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 147173545
2-[5-chloro-4-[3-[[(2S)-6,6-dimethyl-1,4-dioxan-2-yl]methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 157171682
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]ethanone
CID 159888925
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2S)-oxolan-2-yl]ethanone
CID 158548924
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 58284806

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone?
The IUPAC name of 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone (CID 162133966) is 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone.
What is the SMILES notation for 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone?
The canonical SMILES for 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone is CC1(C)CC[C@@H](C(=O)Cc2cc(-c3ccc(F)c(NCC4CCOCC4)c3)c(Cl)cn2)CN1.CC1(CNc2cc(-c3cc(CC(=O)[C@@H]4CCCNC4)ncc3Cl)ccc2F)CCOCC1.O=C(Cc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1)[C@@H]1CNCCOC1.O=C(Cc1cc(-c2ccc(F)c(NCC3CCOCC3)c2)c(Cl)cn1)[C@H]1CNCCO1.
What is the InChIKey of 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone?
The InChIKey is ZJAHHNBHTRLRJO-BBLWLCILSA-N. The full InChI is InChI=1S/C26H33ClFN3O2.C25H31ClFN3O2.C24H29ClFN3O3.C23H27ClFN3O3/c1-26(2)8-5-19(15-31-26)25(32)13-20-12-21(22(27)16-29-20)18-3-4-23(28)24(11-18)30-14-17-6-9-33-10-7-17;1-25(6-9-32-10-7-25)16-30-23-11-17(4-5-22(23)27)20-12-19(29-15-21(20)26)13-24(31)18-3-2-8-28-14-18;25-22-14-29-19(11-24(30)17-13-27-5-8-32-15-17)10-20(22)21-9-18(1-2-23(21)26)28-12-16-3-6-31-7-4-16;24-19-13-27-17(11-22(29)23-14-26-5-8-31-23)10-18(19)16-1-2-20(25)21(9-16)28-12-15-3-6-30-7-4-15/h3-4,11-12,16-17,19,30-31H,5-10,13-15H2,1-2H3;4-5,11-12,15,18,28,30H,2-3,6-10,13-14,16H2,1H3;1-2,9-10,14,16-17,27-28H,3-8,11-13,15H2;1-2,9-10,13,15,23,26,28H,3-8,11-12,14H2/t19-;18-;17-;23-/m1111/s1.
What are the key properties of 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone?
2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone has a molecular weight of 1843.92 g/mol, XLogP of 17.36, 28 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[4-fluoro-3-[(4-methyloxan-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-6,6-dimethylpiperidin-3-yl]ethanone;2-[5-chloro-4-[4-fluoro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2R)-morpholin-2-yl]ethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(6R)-1,4-oxazepan-6-yl]ethanone is sourced from PubChem (CID 162133966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).