2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C21H18F3N7O2 — CID 155451136

IUPAC2-[4-[[4-[1-pyrimidin-5-yl-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-c3cncnc3)ccn2)ccn1
InChIInChI=1S/C21H18F3N7O2/c1-20(2,32)16-7-13(3-5-27-16)29-18-8-15(4-6-28-18)33-19-9-17(21(22,23)24)30-31(19)14-10-25-12-26-11-14/h3-12,32H,1-2H3,(H,27,28,29)
InChIKeyJORJBMMUQKQOKN-UHFFFAOYSA-N
MW457.42 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451136) has the molecular formula C21H18F3N7O2 and a molecular weight of 457.42 g/mol. Its IUPAC name is 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451136
Molecular FormulaC21H18F3N7O2
Molecular Weight457.42 g/mol
Exact Mass457.15
IUPAC Name2-[4-[[4-[1-pyrimidin-5-yl-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-c3cncnc3)ccn2)ccn1
InChIInChI=1S/C21H18F3N7O2/c1-20(2,32)16-7-13(3-5-27-16)29-18-8-15(4-6-28-18)33-19-9-17(21(22,23)24)30-31(19)14-10-25-12-26-11-14/h3-12,32H,1-2H3,(H,27,28,29)
InChIKeyJORJBMMUQKQOKN-UHFFFAOYSA-N
XLogP4.23
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451136) is 2-[4-[[4-[1-pyrimidin-5-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-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-pyrimidin-5-yl-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-c3cncnc3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is JORJBMMUQKQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2/c1-20(2,32)16-7-13(3-5-27-16)29-18-8-15(4-6-28-18)33-19-9-17(21(22,23)24)30-31(19)14-10-25-12-26-11-14/h3-12,32H,1-2H3,(H,27,28,29).
What are the key properties of 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 457.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).