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

C21H15F3N4O2 — CID 72586350

IUPACN-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(C(=NO)c3ccccc3)cn2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)30-16-9-6-14(7-10-16)19-20(25)26-17-11-8-15(12-28(17)19)18(27-29)13-4-2-1-3-5-13/h1-12,29H,25H2
InChIKeyIVDDLMWAHXMCGG-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.71
Rot. Bonds4

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

N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (PubChem CID 72586350) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
PubChem CID72586350
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC NameN-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
SMILESNc1nc2ccc(C(=NO)c3ccccc3)cn2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)30-16-9-6-14(7-10-16)19-20(25)26-17-11-8-15(12-28(17)19)18(27-29)13-4-2-1-3-5-13/h1-12,29H,25H2
InChIKeyIVDDLMWAHXMCGG-UHFFFAOYSA-N
XLogP4.71
TPSA85.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879950
N-[[2-amino-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586329
[2-amino-3-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626654
3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-amine
CID 162644222
(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685765
(2S)-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]oxolane-2-carboxamide
CID 66991379
N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 66991059
1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acridine
CID 151769224
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202664
N-[2,2-difluoro-2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]benzamide
CID 66849289
pyridine;4-[4-(trifluoromethoxy)phenyl]benzamide
CID 155075156

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine (CID 72586350) is N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is Nc1nc2ccc(C(=NO)c3ccccc3)cn2c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is IVDDLMWAHXMCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-21(23,24)30-16-9-6-14(7-10-16)19-20(25)26-17-11-8-15(12-28(17)19)18(27-29)13-4-2-1-3-5-13/h1-12,29H,25H2.
What are the key properties of N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine?
N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 412.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 72586350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).