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

C23H19ClF3N5O2 — CID 155451138

IUPAC2-[4-[[4-[1-(4-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-c3ccc(Cl)cc3)ccn2)ccn1
InChIInChI=1S/C23H19ClF3N5O2/c1-22(2,33)18-11-15(7-9-28-18)30-20-12-17(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)16-5-3-14(24)4-6-16/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyAKJPYUYSDJAKIG-UHFFFAOYSA-N
MW489.89 g/mol
LogP6.10
Rot. Bonds6

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

2-[4-[[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155451138) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 489.89 g/mol. Its IUPAC name is 2-[4-[[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155451138
Molecular FormulaC23H19ClF3N5O2
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC Name2-[4-[[4-[1-(4-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-c3ccc(Cl)cc3)ccn2)ccn1
InChIInChI=1S/C23H19ClF3N5O2/c1-22(2,33)18-11-15(7-9-28-18)30-20-12-17(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)16-5-3-14(24)4-6-16/h3-13,33H,1-2H3,(H,28,29,30)
InChIKeyAKJPYUYSDJAKIG-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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Related Compounds

1-[4-[[4-[1-Cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
2-[4-[[4-[1-Cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
CID 150486404
2-[4-[[4-(1-Cyclopropyl-3-phenylpyrazol-4-yl)oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 151595124
3-[4-[[4-[1-Cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)azetidin-3-ol
CID 152316898
2-[4-[[4-[1-Cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 153533399
Tgf|ari-IN-4
CID 162618103
3-[1-Cyclopropyl-4-[[2-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-4-pyridinyl]oxy]pyrazol-3-yl]-1-(trifluoromethyl)cyclobutan-1-ol
CID 162663996
2-[4-[[4-[1-Cyclopropyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 162664593
2-[4-[[4-[1-Cyclopropyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 162665216
4-[4-[[4-[1-Cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol
CID 162671643
2-[4-[[4-[1-Cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 162672288
1-[4-[[4-[1-Cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 162675512

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155451138) is 2-[4-[[4-[1-(4-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-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-(4-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-c3ccc(Cl)cc3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is AKJPYUYSDJAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c1-22(2,33)18-11-15(7-9-28-18)30-20-12-17(8-10-29-20)34-21-13-19(23(25,26)27)31-32(21)16-5-3-14(24)4-6-16/h3-13,33H,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-[[4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-(4-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-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155451138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).