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

C23H19ClF3N5O2 — CID 155451139

IUPAC2-[4-[[4-[1-(2-chlorophenyl)-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-c3ccccc3Cl)ccn2)ccn1
InChIInChI=1S/C23H19ClF3N5O2/c1-22(2,33)18-11-14(7-9-28-18)30-20-12-15(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyGQBLEDGGYSRTMF-UHFFFAOYSA-N
MW489.89 g/mol
LogP6.10
Rot. Bonds6

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

2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451139) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 489.89 g/mol. Its IUPAC name is 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451139
Molecular FormulaC23H19ClF3N5O2
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC Name2-[4-[[4-[1-(2-chlorophenyl)-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-c3ccccc3Cl)ccn2)ccn1
InChIInChI=1S/C23H19ClF3N5O2/c1-22(2,33)18-11-14(7-9-28-18)30-20-12-15(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyGQBLEDGGYSRTMF-UHFFFAOYSA-N
XLogP6.10
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451139) is 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-(2-chlorophenyl)-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-c3ccccc3Cl)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is GQBLEDGGYSRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c1-22(2,33)18-11-14(7-9-28-18)30-20-12-15(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)17-6-4-3-5-16(17)24/h3-13,33H,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 489.89 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).