N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine

C20H14F2N4O — CID 72586329

IUPACN-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(C(=NO)c3ccccc3)cn2c1-c1ccc(F)cc1F
InChIInChI=1S/C20H14F2N4O/c21-14-7-8-15(16(22)10-14)19-20(23)24-17-9-6-13(11-26(17)19)18(25-27)12-4-2-1-3-5-12/h1-11,27H,23H2
InChIKeyGDMOSELWCBMBEK-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.09
Rot. Bonds3

About N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine

N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (PubChem CID 72586329) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
PubChem CID72586329
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(C(=NO)c3ccccc3)cn2c1-c1ccc(F)cc1F
InChIInChI=1S/C20H14F2N4O/c21-14-7-8-15(16(22)10-14)19-20(23)24-17-9-6-13(11-26(17)19)18(25-27)12-4-2-1-3-5-12/h1-11,27H,23H2
InChIKeyGDMOSELWCBMBEK-UHFFFAOYSA-N
XLogP4.09
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.09
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 N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (CID 72586329) is N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is Nc1nc2ccc(C(=NO)c3ccccc3)cn2c1-c1ccc(F)cc1F.
What is the InChIKey of N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is GDMOSELWCBMBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-14-7-8-15(16(22)10-14)19-20(23)24-17-9-6-13(11-26(17)19)18(25-27)12-4-2-1-3-5-12/h1-11,27H,23H2.
What are the key properties of N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 364.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 72586329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).