[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid

C14H14F3N5O3 — CID 67134834

IUPAC[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1-c1cnc2nc(CN)[nH]c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H13N5O.C2HF3O2/c1-6-11(7(2)18-17-6)8-3-9-12(14-5-8)16-10(4-13)15-9;3-2(4,5)1(6)7/h3,5H,4,13H2,1-2H3,(H,14,15,16);(H,6,7)
InChIKeyKFHLUYTZFZQNFV-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.32
Rot. Bonds2

About [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid

[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 67134834) has the molecular formula C14H14F3N5O3 and a molecular weight of 357.29 g/mol. Its IUPAC name is [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID67134834
Molecular FormulaC14H14F3N5O3
Molecular Weight357.29 g/mol
Exact Mass357.10
IUPAC Name[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1-c1cnc2nc(CN)[nH]c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H13N5O.C2HF3O2/c1-6-11(7(2)18-17-6)8-3-9-12(14-5-8)16-10(4-13)15-9;3-2(4,5)1(6)7/h3,5H,4,13H2,1-2H3,(H,14,15,16);(H,6,7)
InChIKeyKFHLUYTZFZQNFV-UHFFFAOYSA-N
XLogP2.32
TPSA130.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid (CID 67134834) is [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid is Cc1noc(C)c1-c1cnc2nc(CN)[nH]c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is KFHLUYTZFZQNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O.C2HF3O2/c1-6-11(7(2)18-17-6)8-3-9-12(14-5-8)16-10(4-13)15-9;3-2(4,5)1(6)7/h3,5H,4,13H2,1-2H3,(H,14,15,16);(H,6,7).
What are the key properties of [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid?
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 357.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67134834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).