6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine

C15H14BrFN4O — CID 164594560

IUPAC6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine
SMILESFc1c(Br)ccc2c(-c3ccnn3C3CCCCO3)ncn12
InChIInChI=1S/C15H14BrFN4O/c16-10-4-5-11-14(18-9-20(11)15(10)17)12-6-7-19-21(12)13-3-1-2-8-22-13/h4-7,9,13H,1-3,8H2
InChIKeyWLNIBEICAVJIMM-UHFFFAOYSA-N
MW365.21 g/mol
LogP3.80
Rot. Bonds2

About 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine

6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine (PubChem CID 164594560) has the molecular formula C15H14BrFN4O and a molecular weight of 365.21 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine
PubChem CID164594560
Molecular FormulaC15H14BrFN4O
Molecular Weight365.21 g/mol
Exact Mass364.03
IUPAC Name6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine
SMILESFc1c(Br)ccc2c(-c3ccnn3C3CCCCO3)ncn12
InChIInChI=1S/C15H14BrFN4O/c16-10-4-5-11-14(18-9-20(11)15(10)17)12-6-7-19-21(12)13-3-1-2-8-22-13/h4-7,9,13H,1-3,8H2
InChIKeyWLNIBEICAVJIMM-UHFFFAOYSA-N
XLogP3.80
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983
4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 126607358
CID 88950303
CID 88950303
2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
CID 159173812
7-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228987
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine (CID 164594560) is 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine is Fc1c(Br)ccc2c(-c3ccnn3C3CCCCO3)ncn12.
What is the InChIKey of 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is WLNIBEICAVJIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4O/c16-10-4-5-11-14(18-9-20(11)15(10)17)12-6-7-19-21(12)13-3-1-2-8-22-13/h4-7,9,13H,1-3,8H2.
What are the key properties of 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine?
6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine has a molecular weight of 365.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 164594560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).