5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile

C18H16FN7O — CID 164920559

IUPAC5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILES[H]/N=C(C)/C(=N\N)c1cc(OC(C)c2ccc(F)cn2)n2c(C#N)cnc2c1
InChIInChI=1S/C18H16FN7O/c1-10(21)18(25-22)12-5-16-24-9-14(7-20)26(16)17(6-12)27-11(2)15-4-3-13(19)8-23-15/h3-6,8-9,11,21H,22H2,1-2H3/b21-10+,25-18+
InChIKeyPKBBZZPKWDMCSH-RYNPZRIZSA-N
MW365.37 g/mol
LogP2.58
Rot. Bonds5

About 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 164920559) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID164920559
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILES[H]/N=C(C)/C(=N\N)c1cc(OC(C)c2ccc(F)cn2)n2c(C#N)cnc2c1
InChIInChI=1S/C18H16FN7O/c1-10(21)18(25-22)12-5-16-24-9-14(7-20)26(16)17(6-12)27-11(2)15-4-3-13(19)8-23-15/h3-6,8-9,11,21H,22H2,1-2H3/b21-10+,25-18+
InChIKeyPKBBZZPKWDMCSH-RYNPZRIZSA-N
XLogP2.58
TPSA125.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 164920559) is 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile is [H]/N=C(C)/C(=N\N)c1cc(OC(C)c2ccc(F)cn2)n2c(C#N)cnc2c1.
What is the InChIKey of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is PKBBZZPKWDMCSH-RYNPZRIZSA-N. The full InChI is InChI=1S/C18H16FN7O/c1-10(21)18(25-22)12-5-16-24-9-14(7-20)26(16)17(6-12)27-11(2)15-4-3-13(19)8-23-15/h3-6,8-9,11,21H,22H2,1-2H3/b21-10+,25-18+.
What are the key properties of 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 365.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).