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

C21H15F3N4O — CID 59879971

IUPAC(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)16-9-5-4-8-15(16)19-20(25)26-17-11-10-14(12-28(17)19)18(27-29)13-6-2-1-3-7-13/h1-12,29H,25H2/b27-18+
InChIKeyWNKOYUTULVMZFW-OVVQPSECSA-N
MW396.37 g/mol
LogP4.83
Rot. Bonds3

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

(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (PubChem CID 59879971) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
PubChem CID59879971
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)16-9-5-4-8-15(16)19-20(25)26-17-11-10-14(12-28(17)19)18(27-29)13-6-2-1-3-7-13/h1-12,29H,25H2/b27-18+
InChIKeyWNKOYUTULVMZFW-OVVQPSECSA-N
XLogP4.83
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.83
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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Related Compounds

(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879957
N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586329
N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586350
(NE)-N-[[2-amino-3-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879950
N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine
CID 72586349
(NZ)-N-[(2-amino-3-phenylimidazo[1,2-a]pyridin-6-yl)-pyridin-2-ylmethylidene]hydroxylamine
CID 135550560
3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine
CID 18685783
N-[6-benzoyl-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 73456550
[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626719
[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626660
(NZ)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine
CID 135496857
(2-amino-3-naphthalen-2-ylimidazo[1,2-a]pyridin-6-yl)-phenylmethanone
CID 22626702

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (CID 59879971) is (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is Nc1nc2ccc(/C(=N/O)c3ccccc3)cn2c1-c1ccccc1C(F)(F)F.
What is the InChIKey of (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is WNKOYUTULVMZFW-OVVQPSECSA-N. The full InChI is InChI=1S/C21H15F3N4O/c22-21(23,24)16-9-5-4-8-15(16)19-20(25)26-17-11-10-14(12-28(17)19)18(27-29)13-6-2-1-3-7-13/h1-12,29H,25H2/b27-18+.
What are the key properties of (NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 396.37 g/mol, XLogP of 4.83, 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-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 59879971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).