5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol

C26H23F3N4O — CID 59393688

IUPAC5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol
SMILESCC(C)C(C)(c1ccc(-c2cncc(O)c2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1
InChIInChI=1S/C26H23F3N4O/c1-16(2)25(3,20-7-4-17(5-8-20)19-12-21(34)15-30-13-19)23-10-6-18(14-31-23)22-9-11-24(33-32-22)26(27,28)29/h4-16,34H,1-3H3
InChIKeyHRAXTQVPBHPMHQ-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.29
Rot. Bonds5

About 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol

5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol (PubChem CID 59393688) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol
PubChem CID59393688
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol
SMILESCC(C)C(C)(c1ccc(-c2cncc(O)c2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1
InChIInChI=1S/C26H23F3N4O/c1-16(2)25(3,20-7-4-17(5-8-20)19-12-21(34)15-30-13-19)23-10-6-18(14-31-23)22-9-11-24(33-32-22)26(27,28)29/h4-16,34H,1-3H3
InChIKeyHRAXTQVPBHPMHQ-UHFFFAOYSA-N
XLogP6.29
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol?
The IUPAC name of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol (CID 59393688) is 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol.
What is the SMILES notation for 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol?
The canonical SMILES for 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol is CC(C)C(C)(c1ccc(-c2cncc(O)c2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1.
What is the InChIKey of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol?
The InChIKey is HRAXTQVPBHPMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c1-16(2)25(3,20-7-4-17(5-8-20)19-12-21(34)15-30-13-19)23-10-6-18(14-31-23)22-9-11-24(33-32-22)26(27,28)29/h4-16,34H,1-3H3.
What are the key properties of 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol?
5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol has a molecular weight of 464.49 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-methyl-2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2-pyridinyl]butan-2-yl]phenyl]pyridin-3-ol is sourced from PubChem (CID 59393688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).