2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol

C20H15F3N4O — CID 118664572

IUPAC2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(O)C(F)(F)F)n4)cc32)n1
InChIInChI=1S/C20H15F3N4O/c1-12-4-2-7-18(25-12)27-17-10-13(8-9-14(17)11-24-27)15-5-3-6-16(26-15)19(28)20(21,22)23/h2-11,19,28H,1H3
InChIKeyOACOQYVXTIDHBH-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.39
Rot. Bonds3

About 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol

2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol (PubChem CID 118664572) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol
PubChem CID118664572
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(O)C(F)(F)F)n4)cc32)n1
InChIInChI=1S/C20H15F3N4O/c1-12-4-2-7-18(25-12)27-17-10-13(8-9-14(17)11-24-27)15-5-3-6-16(26-15)19(28)20(21,22)23/h2-11,19,28H,1H3
InChIKeyOACOQYVXTIDHBH-UHFFFAOYSA-N
XLogP4.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol (CID 118664572) is 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol is Cc1cccc(-n2ncc3ccc(-c4cccc(C(O)C(F)(F)F)n4)cc32)n1.
What is the InChIKey of 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol?
The InChIKey is OACOQYVXTIDHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-4-2-7-18(25-12)27-17-10-13(8-9-14(17)11-24-27)15-5-3-6-16(26-15)19(28)20(21,22)23/h2-11,19,28H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol?
2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol has a molecular weight of 384.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 118664572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).