N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide

C14H8BrFN6O — CID 163220438

IUPACN-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESO=CNc1cn2cc(-c3c(Br)c(F)cc4[nH]ncc34)ncc2n1
InChIInChI=1S/C14H8BrFN6O/c15-14-8(16)1-9-7(2-19-21-9)13(14)10-4-22-5-11(18-6-23)20-12(22)3-17-10/h1-6H,(H,18,23)(H,19,21)
InChIKeyLLXHSOLRQGLVID-UHFFFAOYSA-N
MW375.16 g/mol
LogP2.74
Rot. Bonds3

About N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide

N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 163220438) has the molecular formula C14H8BrFN6O and a molecular weight of 375.16 g/mol. Its IUPAC name is N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID163220438
Molecular FormulaC14H8BrFN6O
Molecular Weight375.16 g/mol
Exact Mass373.99
IUPAC NameN-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESO=CNc1cn2cc(-c3c(Br)c(F)cc4[nH]ncc34)ncc2n1
InChIInChI=1S/C14H8BrFN6O/c15-14-8(16)1-9-7(2-19-21-9)13(14)10-4-22-5-11(18-6-23)20-12(22)3-17-10/h1-6H,(H,18,23)(H,19,21)
InChIKeyLLXHSOLRQGLVID-UHFFFAOYSA-N
XLogP2.74
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide?
The IUPAC name of N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide (CID 163220438) is N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide.
What is the SMILES notation for N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide?
The canonical SMILES for N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide is O=CNc1cn2cc(-c3c(Br)c(F)cc4[nH]ncc34)ncc2n1.
What is the InChIKey of N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide?
The InChIKey is LLXHSOLRQGLVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN6O/c15-14-8(16)1-9-7(2-19-21-9)13(14)10-4-22-5-11(18-6-23)20-12(22)3-17-10/h1-6H,(H,18,23)(H,19,21).
What are the key properties of N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide?
N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 375.16 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-bromo-6-fluoro-1H-indazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 163220438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).