3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine

C18H12FIN4 — CID 177316140

IUPAC3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cn2cc(-c3ccc(F)cc3)ncc2c1I
InChIInChI=1S/C18H12FIN4/c19-12-5-3-11(4-6-12)15-10-24-9-14(17(20)16(24)8-23-15)13-2-1-7-22-18(13)21/h1-10H,(H2,21,22)
InChIKeyHZWMNOUYVGNWLW-UHFFFAOYSA-N
MW430.22 g/mol
LogP4.39
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine

3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine (PubChem CID 177316140) has the molecular formula C18H12FIN4 and a molecular weight of 430.22 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine
PubChem CID177316140
Molecular FormulaC18H12FIN4
Molecular Weight430.22 g/mol
Exact Mass430.01
IUPAC Name3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cn2cc(-c3ccc(F)cc3)ncc2c1I
InChIInChI=1S/C18H12FIN4/c19-12-5-3-11(4-6-12)15-10-24-9-14(17(20)16(24)8-23-15)13-2-1-7-22-18(13)21/h1-10H,(H2,21,22)
InChIKeyHZWMNOUYVGNWLW-UHFFFAOYSA-N
XLogP4.39
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[3-(5-fluoro-2-pyridinyl)-8-methylpyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine
CID 177316248
3-[6-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyridin-2-amine
CID 177316308
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
3-[3-[4-(chloromethyl)phenyl]-5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 177317077
ethane;3-[6-(4-fluorophenyl)-3-methylimidazo[1,2-a]pyrimidin-2-yl]pyridin-2-amine
CID 177316415
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058185
3-[1-chloro-3-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)indolizin-2-yl]pyridin-2-amine;ethane
CID 177316474
3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316980
4-[2-(4-fluorophenyl)-3-pyridinyl]pyrimidin-2-amine
CID 10220968
6-(2-amino-3-pyridinyl)-N-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118720501
3-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 115503110
3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine
CID 177316285

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine (CID 177316140) is 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine is Nc1ncccc1-c1cn2cc(-c3ccc(F)cc3)ncc2c1I.
What is the InChIKey of 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine?
The InChIKey is HZWMNOUYVGNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FIN4/c19-12-5-3-11(4-6-12)15-10-24-9-14(17(20)16(24)8-23-15)13-2-1-7-22-18(13)21/h1-10H,(H2,21,22).
What are the key properties of 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine?
3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine has a molecular weight of 430.22 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-8-iodopyrrolo[1,2-a]pyrazin-7-yl]pyridin-2-amine is sourced from PubChem (CID 177316140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).