2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol

C17H22F3N3O — CID 139518403

IUPAC2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol
SMILESC=C(CCCCc1nc2nc(C(F)(F)F)ccc2[nH]1)CC(C)(C)O
InChIInChI=1S/C17H22F3N3O/c1-11(10-16(2,3)24)6-4-5-7-14-21-12-8-9-13(17(18,19)20)22-15(12)23-14/h8-9,24H,1,4-7,10H2,2-3H3,(H,21,22,23)
InChIKeyMOEQIWYRKIBVBJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.41
Rot. Bonds7

About 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol

2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol (PubChem CID 139518403) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol.

Molecular Properties

Compound Name2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol
PubChem CID139518403
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol
SMILESC=C(CCCCc1nc2nc(C(F)(F)F)ccc2[nH]1)CC(C)(C)O
InChIInChI=1S/C17H22F3N3O/c1-11(10-16(2,3)24)6-4-5-7-14-21-12-8-9-13(17(18,19)20)22-15(12)23-14/h8-9,24H,1,4-7,10H2,2-3H3,(H,21,22,23)
InChIKeyMOEQIWYRKIBVBJ-UHFFFAOYSA-N
XLogP4.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol?
The IUPAC name of 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol (CID 139518403) is 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol.
What is the SMILES notation for 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol?
The canonical SMILES for 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol is C=C(CCCCc1nc2nc(C(F)(F)F)ccc2[nH]1)CC(C)(C)O.
What is the InChIKey of 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol?
The InChIKey is MOEQIWYRKIBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c1-11(10-16(2,3)24)6-4-5-7-14-21-12-8-9-13(17(18,19)20)22-15(12)23-14/h8-9,24H,1,4-7,10H2,2-3H3,(H,21,22,23).
What are the key properties of 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol?
2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol has a molecular weight of 341.38 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-8-[5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]octan-2-ol is sourced from PubChem (CID 139518403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).