2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C117H132F9N25O12 — CID 159496788

IUPAC2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccccc3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C(C)(C)C)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3CC3CC3)ccn2)ccn1.C[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1.C[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1
InChIInChI=1S/2C26H33N5O3.C23H20F3N5O2.C21H22F3N5O2.C21H24F3N5O2/c2*1-16-11-20(12-17(2)33-16)31-25(15-22(30-31)18-5-6-18)34-21-8-10-28-24(14-21)29-19-7-9-27-23(13-19)26(3,4)32;1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16;1-20(2,30)16-9-14(5-7-25-16)27-18-10-15(6-8-26-18)31-19-11-17(21(22,23)24)28-29(19)12-13-3-4-13;1-19(2,3)29-18(12-16(28-29)21(22,23)24)31-14-7-9-26-17(11-14)27-13-6-8-25-15(10-13)20(4,5)30/h2*7-10,13-18,20,32H,5-6,11-12H2,1-4H3,(H,27,28,29);3-14,32H,1-2H3,(H,27,28,29);5-11,13,30H,3-4,12H2,1-2H3,(H,25,26,27);6-12,30H,1-5H3,(H,25,26,27)/t2*16-,17+,20?;;;
InChIKeyLYWNPSODBFZFRN-CFEDBEJLSA-N
MW2251.49 g/mol
LogP26.40
Rot. Bonds32

About 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 159496788) has the molecular formula C117H132F9N25O12 and a molecular weight of 2251.49 g/mol. Its IUPAC name is 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID159496788
Molecular FormulaC117H132F9N25O12
Molecular Weight2251.49 g/mol
Exact Mass2250.03
IUPAC Name2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccccc3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C(C)(C)C)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3CC3CC3)ccn2)ccn1.C[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1.C[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1
InChIInChI=1S/2C26H33N5O3.C23H20F3N5O2.C21H22F3N5O2.C21H24F3N5O2/c2*1-16-11-20(12-17(2)33-16)31-25(15-22(30-31)18-5-6-18)34-21-8-10-28-24(14-21)29-19-7-9-27-23(13-19)26(3,4)32;1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16;1-20(2,30)16-9-14(5-7-25-16)27-18-10-15(6-8-26-18)31-19-11-17(21(22,23)24)28-29(19)12-13-3-4-13;1-19(2,3)29-18(12-16(28-29)21(22,23)24)31-14-7-9-26-17(11-14)27-13-6-8-25-15(10-13)20(4,5)30/h2*7-10,13-18,20,32H,5-6,11-12H2,1-4H3,(H,27,28,29);3-14,32H,1-2H3,(H,27,28,29);5-11,13,30H,3-4,12H2,1-2H3,(H,25,26,27);6-12,30H,1-5H3,(H,25,26,27)/t2*16-,17+,20?;;;
InChIKeyLYWNPSODBFZFRN-CFEDBEJLSA-N
XLogP26.40
TPSA443.91 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds32
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002251.49
LogP ≤ 526.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 159496788) is 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3ccccc3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C(C)(C)C)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3CC3CC3)ccn2)ccn1.C[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1.C[C@@H]1CC(n2nc(C3CC3)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1.
What is the InChIKey of 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is LYWNPSODBFZFRN-CFEDBEJLSA-N. The full InChI is InChI=1S/2C26H33N5O3.C23H20F3N5O2.C21H22F3N5O2.C21H24F3N5O2/c2*1-16-11-20(12-17(2)33-16)31-25(15-22(30-31)18-5-6-18)34-21-8-10-28-24(14-21)29-19-7-9-27-23(13-19)26(3,4)32;1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16;1-20(2,30)16-9-14(5-7-25-16)27-18-10-15(6-8-26-18)31-19-11-17(21(22,23)24)28-29(19)12-13-3-4-13;1-19(2,3)29-18(12-16(28-29)21(22,23)24)31-14-7-9-26-17(11-14)27-13-6-8-25-15(10-13)20(4,5)30/h2*7-10,13-18,20,32H,5-6,11-12H2,1-4H3,(H,27,28,29);3-14,32H,1-2H3,(H,27,28,29);5-11,13,30H,3-4,12H2,1-2H3,(H,25,26,27);6-12,30H,1-5H3,(H,25,26,27)/t2*16-,17+,20?;;;.
What are the key properties of 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 2251.49 g/mol, XLogP of 26.40, 32 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;bis(2-[4-[[4-[3-cyclopropyl-1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol);2-[4-[[4-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2-[4-[[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 159496788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).