2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine

C14H14F4N4 — CID 133371065

IUPAC2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCCc2cn3c(n2)CCCC3)c1F
InChIInChI=1S/C14H14F4N4/c15-10-12(11(16)14(18)21-13(10)17)19-5-4-8-7-22-6-2-1-3-9(22)20-8/h7H,1-6H2,(H,19,21)
InChIKeyXBODEUDTNMJONJ-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.83
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine (PubChem CID 133371065) has the molecular formula C14H14F4N4 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine
PubChem CID133371065
Molecular FormulaC14H14F4N4
Molecular Weight314.29 g/mol
Exact Mass314.12
IUPAC Name2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCCc2cn3c(n2)CCCC3)c1F
InChIInChI=1S/C14H14F4N4/c15-10-12(11(16)14(18)21-13(10)17)19-5-4-8-7-22-6-2-1-3-9(22)20-8/h7H,1-6H2,(H,19,21)
InChIKeyXBODEUDTNMJONJ-UHFFFAOYSA-N
XLogP2.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanol
CID 67473277
2-ethylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
CID 99790091
5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120970072
2,6-dimethyl-4-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133396657
3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133350977
1-[6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]-3-pyridinyl]ethanone
CID 91650965
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylhydrazine
CID 146157907
2-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]-3H-quinazolin-4-one
CID 137264176
5-phenyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 167750708
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]benzamide
CID 42950879
trans-(1R,2R)-2-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclopropane-1-carboxamide
CID 95276765
3-methylsulfonyl-2-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]aniline
CID 133393359

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine (CID 133371065) is 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine is Fc1nc(F)c(F)c(NCCc2cn3c(n2)CCCC3)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine?
The InChIKey is XBODEUDTNMJONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4/c15-10-12(11(16)14(18)21-13(10)17)19-5-4-8-7-22-6-2-1-3-9(22)20-8/h7H,1-6H2,(H,19,21).
What are the key properties of 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine has a molecular weight of 314.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 133371065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).