N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine

C21H13F5N4O — CID 72586349

IUPACN-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine
SMILESNc1nc2ccc(C(=NO)c3ccc(F)cc3)cn2c1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C21H13F5N4O/c22-14-5-1-11(2-6-14)18(29-31)12-3-8-17-28-20(27)19(30(17)10-12)15-7-4-13(9-16(15)23)21(24,25)26/h1-10,31H,27H2
InChIKeyAOBFBCPQNDQMQW-UHFFFAOYSA-N
MW432.35 g/mol
LogP5.11
Rot. Bonds3

About N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine

N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine (PubChem CID 72586349) has the molecular formula C21H13F5N4O and a molecular weight of 432.35 g/mol. Its IUPAC name is N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine
PubChem CID72586349
Molecular FormulaC21H13F5N4O
Molecular Weight432.35 g/mol
Exact Mass432.10
IUPAC NameN-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine
SMILESNc1nc2ccc(C(=NO)c3ccc(F)cc3)cn2c1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C21H13F5N4O/c22-14-5-1-11(2-6-14)18(29-31)12-3-8-17-28-20(27)19(30(17)10-12)15-7-4-13(9-16(15)23)21(24,25)26/h1-10,31H,27H2
InChIKeyAOBFBCPQNDQMQW-UHFFFAOYSA-N
XLogP5.11
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.11
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

N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586329
(NE)-N-[[2-amino-3-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879957
(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879971
2,2,2-trifluoro-N-[6-(4-fluorobenzoyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 22626681
N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586350
[2-amino-3-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626644
[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626719
3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine
CID 18685783
(NZ)-N-[(2-amino-3-phenylimidazo[1,2-a]pyridin-6-yl)-pyridin-2-ylmethylidene]hydroxylamine
CID 135550560
(NZ)-N-[[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenylmethylidene]hydroxylamine
CID 135496857
2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82356180
[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626660

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine (CID 72586349) is N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine is Nc1nc2ccc(C(=NO)c3ccc(F)cc3)cn2c1-c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is AOBFBCPQNDQMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F5N4O/c22-14-5-1-11(2-6-14)18(29-31)12-3-8-17-28-20(27)19(30(17)10-12)15-7-4-13(9-16(15)23)21(24,25)26/h1-10,31H,27H2.
What are the key properties of N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine?
N-[[2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 432.35 g/mol, XLogP of 5.11, 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-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-(4-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 72586349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).