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

C23H18F5N5O2 — CID 155765618

IUPAC2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3c(F)cccc3F)ccn2)cn1
InChIInChI=1S/C23H18F5N5O2/c1-22(2,34)17-7-6-13(12-30-17)31-19-10-14(8-9-29-19)35-20-11-18(23(26,27)28)32-33(20)21-15(24)4-3-5-16(21)25/h3-12,34H,1-2H3,(H,29,31)
InChIKeyOGVUYOFJDZLWCR-UHFFFAOYSA-N
MW491.42 g/mol
LogP5.72
Rot. Bonds6

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

2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 155765618) has the molecular formula C23H18F5N5O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID155765618
Molecular FormulaC23H18F5N5O2
Molecular Weight491.42 g/mol
Exact Mass491.14
IUPAC Name2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3c(F)cccc3F)ccn2)cn1
InChIInChI=1S/C23H18F5N5O2/c1-22(2,34)17-7-6-13(12-30-17)31-19-10-14(8-9-29-19)35-20-11-18(23(26,27)28)32-33(20)21-15(24)4-3-5-16(21)25/h3-12,34H,1-2H3,(H,29,31)
InChIKeyOGVUYOFJDZLWCR-UHFFFAOYSA-N
XLogP5.72
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 155765618) is 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3c(F)cccc3F)ccn2)cn1.
What is the InChIKey of 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is OGVUYOFJDZLWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N5O2/c1-22(2,34)17-7-6-13(12-30-17)31-19-10-14(8-9-29-19)35-20-11-18(23(26,27)28)32-33(20)21-15(24)4-3-5-16(21)25/h3-12,34H,1-2H3,(H,29,31).
What are the key properties of 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 491.42 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155765618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).