2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C106H115F3N20O12 — CID 159465056

IUPAC2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3ccc(C4CC4)nc3C3CCOCC3)ccn2)ccn1.COc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1.Cc1ccc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(C)n1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1
InChIInChI=1S/C26H30N4O3.C20H19F3N4O2.C20H22N4O3.2C20H22N4O2/c1-26(2,31)23-15-19(7-11-27-23)29-24-16-20(8-12-28-24)33-22-6-5-21(17-3-4-17)30-25(22)18-9-13-32-14-10-18;1-12-15(4-5-16(26-12)20(21,22)23)29-14-7-9-25-18(11-14)27-13-6-8-24-17(10-13)19(2,3)28;1-13-16(5-6-19(23-13)26-4)27-15-8-10-22-18(12-15)24-14-7-9-21-17(11-14)20(2,3)25;1-13-5-7-17(14(2)23-13)26-16-9-10-21-19(11-16)24-15-6-8-18(22-12-15)20(3,4)25;1-13-5-6-17(14(2)23-13)26-16-8-10-22-19(12-16)24-15-7-9-21-18(11-15)20(3,4)25/h5-8,11-12,15-18,31H,3-4,9-10,13-14H2,1-2H3,(H,27,28,29);4-11,28H,1-3H3,(H,24,25,27);5-12,25H,1-4H3,(H,21,22,24);5-12,25H,1-4H3,(H,21,24);5-12,25H,1-4H3,(H,21,22,24)
InChIKeyLVBNYXPFNDEKMI-UHFFFAOYSA-N
MW1918.21 g/mol
LogP22.82
Rot. Bonds28

About 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 159465056) has the molecular formula C106H115F3N20O12 and a molecular weight of 1918.21 g/mol. Its IUPAC name is 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID159465056
Molecular FormulaC106H115F3N20O12
Molecular Weight1918.21 g/mol
Exact Mass1916.90
IUPAC Name2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3ccc(C4CC4)nc3C3CCOCC3)ccn2)ccn1.COc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1.Cc1ccc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(C)n1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1
InChIInChI=1S/C26H30N4O3.C20H19F3N4O2.C20H22N4O3.2C20H22N4O2/c1-26(2,31)23-15-19(7-11-27-23)29-24-16-20(8-12-28-24)33-22-6-5-21(17-3-4-17)30-25(22)18-9-13-32-14-10-18;1-12-15(4-5-16(26-12)20(21,22)23)29-14-7-9-25-18(11-14)27-13-6-8-24-17(10-13)19(2,3)28;1-13-16(5-6-19(23-13)26-4)27-15-8-10-22-18(12-15)24-14-7-9-21-17(11-14)20(2,3)25;1-13-5-7-17(14(2)23-13)26-16-9-10-21-19(11-16)24-15-6-8-18(22-12-15)20(3,4)25;1-13-5-6-17(14(2)23-13)26-16-8-10-22-19(12-16)24-15-7-9-21-18(11-15)20(3,4)25/h5-8,11-12,15-18,31H,3-4,9-10,13-14H2,1-2H3,(H,27,28,29);4-11,28H,1-3H3,(H,24,25,27);5-12,25H,1-4H3,(H,21,22,24);5-12,25H,1-4H3,(H,21,24);5-12,25H,1-4H3,(H,21,22,24)
InChIKeyLVBNYXPFNDEKMI-UHFFFAOYSA-N
XLogP22.82
TPSA419.26 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.21
LogP ≤ 522.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[4-[1-Cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4-(trifluoromethyl)cyclohexane-1,4-diol
CID 168292497
2-[4-[[4-[[2-Methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451003
2-[4-[[4-[[2-(Oxan-4-yl)-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451158
2-[4-[[4-[[6-Methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451172
2-[4-[[4-[[6-Cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155450597
2-[4-[[4-[(6-Methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155450638
2-[4-[[4-[[6-Methoxy-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451134
2-[4-[[4-[[6-Methyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451144
2-[4-[[4-[[2-(Oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451165
2-[4-[[4-[(2-Cyclopropyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451166
2-[5-[[4-[(2,6-Dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155451167
6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 11442648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 159465056) is 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3ccc(C4CC4)nc3C3CCOCC3)ccn2)ccn1.COc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1.Cc1ccc(Oc2ccnc(Nc3ccc(C(C)(C)O)nc3)c2)c(C)n1.Cc1ccc(Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)c(C)n1.Cc1nc(C(F)(F)F)ccc1Oc1ccnc(Nc2ccnc(C(C)(C)O)c2)c1.
What is the InChIKey of 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is LVBNYXPFNDEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3.C20H19F3N4O2.C20H22N4O3.2C20H22N4O2/c1-26(2,31)23-15-19(7-11-27-23)29-24-16-20(8-12-28-24)33-22-6-5-21(17-3-4-17)30-25(22)18-9-13-32-14-10-18;1-12-15(4-5-16(26-12)20(21,22)23)29-14-7-9-25-18(11-14)27-13-6-8-24-17(10-13)19(2,3)28;1-13-16(5-6-19(23-13)26-4)27-15-8-10-22-18(12-15)24-14-7-9-21-17(11-14)20(2,3)25;1-13-5-7-17(14(2)23-13)26-16-9-10-21-19(11-16)24-15-6-8-18(22-12-15)20(3,4)25;1-13-5-6-17(14(2)23-13)26-16-8-10-22-19(12-16)24-15-7-9-21-18(11-15)20(3,4)25/h5-8,11-12,15-18,31H,3-4,9-10,13-14H2,1-2H3,(H,27,28,29);4-11,28H,1-3H3,(H,24,25,27);5-12,25H,1-4H3,(H,21,22,24);5-12,25H,1-4H3,(H,21,24);5-12,25H,1-4H3,(H,21,22,24).
What are the key properties of 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 1918.21 g/mol, XLogP of 22.82, 28 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[6-cyclopropyl-2-(oxan-4-yl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[5-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 159465056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).