2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol

C19H19FN4O2 — CID 143864666

IUPAC2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol
SMILESNc1ncc(-c2nc(-c3ccc(F)cc3)[nH]c2C2CCOCC2)cc1O
InChIInChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)19-23-16(11-5-7-26-8-6-11)17(24-19)13-9-15(25)18(21)22-10-13/h1-4,9-11,25H,5-8H2,(H2,21,22)(H,23,24)
InChIKeyHTPPSNZCPSUJOX-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.46
Rot. Bonds3

About 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol

2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol (PubChem CID 143864666) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol
PubChem CID143864666
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol
SMILESNc1ncc(-c2nc(-c3ccc(F)cc3)[nH]c2C2CCOCC2)cc1O
InChIInChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)19-23-16(11-5-7-26-8-6-11)17(24-19)13-9-15(25)18(21)22-10-13/h1-4,9-11,25H,5-8H2,(H2,21,22)(H,23,24)
InChIKeyHTPPSNZCPSUJOX-UHFFFAOYSA-N
XLogP3.46
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol?
The IUPAC name of 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol (CID 143864666) is 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol.
What is the SMILES notation for 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol?
The canonical SMILES for 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol is Nc1ncc(-c2nc(-c3ccc(F)cc3)[nH]c2C2CCOCC2)cc1O.
What is the InChIKey of 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol?
The InChIKey is HTPPSNZCPSUJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-14-3-1-12(2-4-14)19-23-16(11-5-7-26-8-6-11)17(24-19)13-9-15(25)18(21)22-10-13/h1-4,9-11,25H,5-8H2,(H2,21,22)(H,23,24).
What are the key properties of 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol?
2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol has a molecular weight of 354.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(4-fluorophenyl)-5-(oxan-4-yl)-1H-imidazol-4-yl]pyridin-3-ol is sourced from PubChem (CID 143864666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).