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

C95H114Cl5F3N12O9 — CID 160686892

IUPAC2-[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
SMILESO=C(Cc1cc(-c2cc(F)cc(NCC3CCOCC3)c2)c(Cl)cn1)C1CNCCO1.O=C(Cc1cc(-c2cc(F)cc(NCC3CCOCC3)c2)c(Cl)cn1)[C@H]1CCCNC1.O=C(Cc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1)[C@@H]1CCCNC1.O=C(Cc1cc(-c2ccc(Cl)c(NCC3CCOCC3)c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C24H29Cl2N3O2.2C24H29ClFN3O2.C23H27ClFN3O3/c25-21-4-3-17(10-23(21)29-13-16-5-8-31-9-6-16)20-11-19(28-15-22(20)26)12-24(30)18-2-1-7-27-14-18;25-23-15-29-21(12-24(30)17-2-1-5-27-14-17)11-22(23)18-8-19(26)10-20(9-18)28-13-16-3-6-31-7-4-16;25-22-15-29-19(12-24(30)17-2-1-7-27-14-17)11-20(22)21-10-18(3-4-23(21)26)28-13-16-5-8-31-9-6-16;24-21-13-28-19(11-22(29)23-14-26-3-6-31-23)10-20(21)16-7-17(25)9-18(8-16)27-12-15-1-4-30-5-2-15/h3-4,10-11,15-16,18,27,29H,1-2,5-9,12-14H2;8-11,15-17,27-28H,1-7,12-14H2;3-4,10-11,15-17,27-28H,1-2,5-9,12-14H2;7-10,13,15,23,26-27H,1-6,11-12,14H2/t18-;2*17-;/m101./s1
InChIKeyROWOQKWKEMJXAQ-NKBSTXIISA-N
MW1802.29 g/mol
LogP17.47
Rot. Bonds28

About 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

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 (PubChem CID 160686892) has the molecular formula C95H114Cl5F3N12O9 and a molecular weight of 1802.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160686892
Molecular FormulaC95H114Cl5F3N12O9
Molecular Weight1802.29 g/mol
Exact Mass1798.72
IUPAC Name2-[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
SMILESO=C(Cc1cc(-c2cc(F)cc(NCC3CCOCC3)c2)c(Cl)cn1)C1CNCCO1.O=C(Cc1cc(-c2cc(F)cc(NCC3CCOCC3)c2)c(Cl)cn1)[C@H]1CCCNC1.O=C(Cc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1)[C@@H]1CCCNC1.O=C(Cc1cc(-c2ccc(Cl)c(NCC3CCOCC3)c2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C24H29Cl2N3O2.2C24H29ClFN3O2.C23H27ClFN3O3/c25-21-4-3-17(10-23(21)29-13-16-5-8-31-9-6-16)20-11-19(28-15-22(20)26)12-24(30)18-2-1-7-27-14-18;25-23-15-29-21(12-24(30)17-2-1-5-27-14-17)11-22(23)18-8-19(26)10-20(9-18)28-13-16-3-6-31-7-4-16;25-22-15-29-19(12-24(30)17-2-1-7-27-14-17)11-20(22)21-10-18(3-4-23(21)26)28-13-16-5-8-31-9-6-16;24-21-13-28-19(11-22(29)23-14-26-3-6-31-23)10-20(21)16-7-17(25)9-18(8-16)27-12-15-1-4-30-5-2-15/h3-4,10-11,15-16,18,27,29H,1-2,5-9,12-14H2;8-11,15-17,27-28H,1-7,12-14H2;3-4,10-11,15-17,27-28H,1-2,5-9,12-14H2;7-10,13,15,23,26-27H,1-6,11-12,14H2/t18-;2*17-;/m101./s1
InChIKeyROWOQKWKEMJXAQ-NKBSTXIISA-N
XLogP17.47
TPSA262.23 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001802.29
LogP ≤ 517.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2-[5-fluoro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 159699648
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-[3-(cyclopropylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 157366170
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-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 147173545
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-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2S)-oxolan-2-yl]ethanone
CID 158548924
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-[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-chloro-4-[6-(oxan-4-ylmethylamino)-5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 58284806
2-[5-chloro-4-[3-[(1,1-dioxothian-4-yl)methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]ethanone;2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone;2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
CID 159608998

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1cc(-c2cc(F)cc(NCC3CCOCC3)c2)c(Cl)cn1)C1CNCCO1.O=C(Cc1cc(-c2cc(F)cc(NCC3CCOCC3)c2)c(Cl)cn1)[C@H]1CCCNC1.O=C(Cc1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1)[C@@H]1CCCNC1.O=C(Cc1cc(-c2ccc(Cl)c(NCC3CCOCC3)c2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of 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?
The InChIKey is ROWOQKWKEMJXAQ-NKBSTXIISA-N. The full InChI is InChI=1S/C24H29Cl2N3O2.2C24H29ClFN3O2.C23H27ClFN3O3/c25-21-4-3-17(10-23(21)29-13-16-5-8-31-9-6-16)20-11-19(28-15-22(20)26)12-24(30)18-2-1-7-27-14-18;25-23-15-29-21(12-24(30)17-2-1-5-27-14-17)11-22(23)18-8-19(26)10-20(9-18)28-13-16-3-6-31-7-4-16;25-22-15-29-19(12-24(30)17-2-1-7-27-14-17)11-20(22)21-10-18(3-4-23(21)26)28-13-16-5-8-31-9-6-16;24-21-13-28-19(11-22(29)23-14-26-3-6-31-23)10-20(21)16-7-17(25)9-18(8-16)27-12-15-1-4-30-5-2-15/h3-4,10-11,15-16,18,27,29H,1-2,5-9,12-14H2;8-11,15-17,27-28H,1-7,12-14H2;3-4,10-11,15-17,27-28H,1-2,5-9,12-14H2;7-10,13,15,23,26-27H,1-6,11-12,14H2/t18-;2*17-;/m101./s1.
What are the key properties of 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?
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 has a molecular weight of 1802.29 g/mol, XLogP of 17.47, 28 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160686892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).