(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine

C20H15FN4O — CID 59879957

IUPAC(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccccc1F
InChIInChI=1S/C20H15FN4O/c21-16-9-5-4-8-15(16)19-20(22)23-17-11-10-14(12-25(17)19)18(24-26)13-6-2-1-3-7-13/h1-12,26H,22H2/b24-18+
InChIKeyRRSKDDBSWLMNIK-HKOYGPOVSA-N
MW346.37 g/mol
LogP3.95
Rot. Bonds3

About (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine

(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (PubChem CID 59879957) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
PubChem CID59879957
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccccc1F
InChIInChI=1S/C20H15FN4O/c21-16-9-5-4-8-15(16)19-20(22)23-17-11-10-14(12-25(17)19)18(24-26)13-6-2-1-3-7-13/h1-12,26H,22H2/b24-18+
InChIKeyRRSKDDBSWLMNIK-HKOYGPOVSA-N
XLogP3.95
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (CID 59879957) is (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is Nc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccccc1F.
What is the InChIKey of (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is RRSKDDBSWLMNIK-HKOYGPOVSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-16-9-5-4-8-15(16)19-20(22)23-17-11-10-14(12-25(17)19)18(24-26)13-6-2-1-3-7-13/h1-12,26H,22H2/b24-18+.
What are the key properties of (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 346.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 59879957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).