2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C24H28F3N5O3 — CID 155450823

IUPAC2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESC[C@@H]1CC(n2nc(C(F)(F)F)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1
InChIInChI=1S/C24H28F3N5O3/c1-14-9-17(10-15(2)34-14)32-22(13-20(31-32)24(25,26)27)35-18-6-8-29-21(12-18)30-16-5-7-28-19(11-16)23(3,4)33/h5-8,11-15,17,33H,9-10H2,1-4H3,(H,28,29,30)/t14-,15+,17?
InChIKeyXUOQPSTWGFLOHD-FKEKPDDDSA-N
MW491.51 g/mol
LogP5.58
Rot. Bonds6

About 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155450823) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155450823
Molecular FormulaC24H28F3N5O3
Molecular Weight491.51 g/mol
Exact Mass491.21
IUPAC Name2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESC[C@@H]1CC(n2nc(C(F)(F)F)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1
InChIInChI=1S/C24H28F3N5O3/c1-14-9-17(10-15(2)34-14)32-22(13-20(31-32)24(25,26)27)35-18-6-8-29-21(12-18)30-16-5-7-28-19(11-16)23(3,4)33/h5-8,11-15,17,33H,9-10H2,1-4H3,(H,28,29,30)/t14-,15+,17?
InChIKeyXUOQPSTWGFLOHD-FKEKPDDDSA-N
XLogP5.58
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-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-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155450823) is 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is C[C@@H]1CC(n2nc(C(F)(F)F)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)C[C@H](C)O1.
What is the InChIKey of 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is XUOQPSTWGFLOHD-FKEKPDDDSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c1-14-9-17(10-15(2)34-14)32-22(13-20(31-32)24(25,26)27)35-18-6-8-29-21(12-18)30-16-5-7-28-19(11-16)23(3,4)33/h5-8,11-15,17,33H,9-10H2,1-4H3,(H,28,29,30)/t14-,15+,17?.
What are the key properties of 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 491.51 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155450823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).