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

C23H18F5N5O2 — CID 155765618

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 Name: 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
• PubChem CID: 155765618
• Molecular Formula: C23H18F5N5O2
• Molecular Weight: 491.42 g/mol
• Exact Mass: 491.14
• IUPAC Name: 2-[5-[[4-[1-(2,6-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
• SMILES: CC(C)(O)c1ccc(Nc2cc(Oc3cc(C(F)(F)F)nn3-c3c(F)cccc3F)ccn2)cn1
• InChI: 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)
• InChIKey: OGVUYOFJDZLWCR-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 85.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.42
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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).