2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol

C22H20FN5OS — CID 58497210

IUPAC2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cn1
InChIInChI=1S/C22H20FN5OS/c1-22(2,29)17-9-7-14(12-25-17)19-21(30-18-10-8-15(23)13-26-18)28(3)20(27-19)16-6-4-5-11-24-16/h4-13,29H,1-3H3
InChIKeyIUOFSIHMNJDLSI-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.46
Rot. Bonds5

About 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol

2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol (PubChem CID 58497210) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
PubChem CID58497210
Molecular FormulaC22H20FN5OS
Molecular Weight421.50 g/mol
Exact Mass421.14
IUPAC Name2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cn1
InChIInChI=1S/C22H20FN5OS/c1-22(2,29)17-9-7-14(12-25-17)19-21(30-18-10-8-15(23)13-26-18)28(3)20(27-19)16-6-4-5-11-24-16/h4-13,29H,1-3H3
InChIKeyIUOFSIHMNJDLSI-UHFFFAOYSA-N
XLogP4.46
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol (CID 58497210) is 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol is Cn1c(-c2ccccn2)nc(-c2ccc(C(C)(C)O)nc2)c1Sc1ccc(F)cn1.
What is the InChIKey of 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is IUOFSIHMNJDLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c1-22(2,29)17-9-7-14(12-25-17)19-21(30-18-10-8-15(23)13-26-18)28(3)20(27-19)16-6-4-5-11-24-16/h4-13,29H,1-3H3.
What are the key properties of 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol?
2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 421.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(5-fluoro-2-pyridinyl)sulfanyl]-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 58497210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).