3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C14H10F2N8O — CID 174282893

IUPAC3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cnn(C(F)F)n3)nc2n1O
InChIInChI=1S/C14H10F2N8O/c15-14(16)24-19-6-10(22-24)8-3-4-9-13(20-8)23(25)12(21-9)7-2-1-5-18-11(7)17/h1-6,14,25H,(H2,17,18)
InChIKeyWACFPDQUAUOBHF-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.97
Rot. Bonds3

About 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 174282893) has the molecular formula C14H10F2N8O and a molecular weight of 344.29 g/mol. Its IUPAC name is 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID174282893
Molecular FormulaC14H10F2N8O
Molecular Weight344.29 g/mol
Exact Mass344.09
IUPAC Name3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2ccc(-c3cnn(C(F)F)n3)nc2n1O
InChIInChI=1S/C14H10F2N8O/c15-14(16)24-19-6-10(22-24)8-3-4-9-13(20-8)23(25)12(21-9)7-2-1-5-18-11(7)17/h1-6,14,25H,(H2,17,18)
InChIKeyWACFPDQUAUOBHF-UHFFFAOYSA-N
XLogP1.97
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[3-hydroxy-5-(oxetan-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 174277886
3-[5-(2-ethyltriazol-4-yl)-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyrazin-2-amine
CID 174283401
[4-[2-(2-amino-3-pyridinyl)-5-[2-(fluoromethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495487
3-(3-methyl-5-propan-2-ylimidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 176981714
methyl 4-[2-(2-amino-3-pyridinyl)-5-[5-(difluoromethoxy)-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzoate
CID 177316625
ethane;3-[3-(4-ethylphenyl)-5-[5-(fluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171495372
[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
3-[3-[4-(chloromethyl)phenyl]-5-[5-(difluoromethoxy)pyrazin-2-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316904
[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 177317078
[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
ethane;3-[3-(4-methylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068731

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 174282893) is 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2ccc(-c3cnn(C(F)F)n3)nc2n1O.
What is the InChIKey of 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is WACFPDQUAUOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N8O/c15-14(16)24-19-6-10(22-24)8-3-4-9-13(20-8)23(25)12(21-9)7-2-1-5-18-11(7)17/h1-6,14,25H,(H2,17,18).
What are the key properties of 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 344.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(difluoromethyl)triazol-4-yl]-3-hydroxyimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 174282893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).