[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol

C22H20F3N7O — CID 171034289

IUPAC[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(F)c(C3NNNN3)cc21
InChIInChI=1S/C22H20F3N7O/c1-2-32-17-11-12(19-28-30-31-29-19)18(25)26-20(17)27-21(32)22(33,13-7-3-5-9-15(13)23)14-8-4-6-10-16(14)24/h3-11,19,28-31,33H,2H2,1H3
InChIKeyRXJMKENAFBWKPO-UHFFFAOYSA-N
MW455.44 g/mol
LogP2.27
Rot. Bonds5

About [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol

[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 171034289) has the molecular formula C22H20F3N7O and a molecular weight of 455.44 g/mol. Its IUPAC name is [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID171034289
Molecular FormulaC22H20F3N7O
Molecular Weight455.44 g/mol
Exact Mass455.17
IUPAC Name[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(F)c(C3NNNN3)cc21
InChIInChI=1S/C22H20F3N7O/c1-2-32-17-11-12(19-28-30-31-29-19)18(25)26-20(17)27-21(32)22(33,13-7-3-5-9-15(13)23)14-8-4-6-10-16(14)24/h3-11,19,28-31,33H,2H2,1H3
InChIKeyRXJMKENAFBWKPO-UHFFFAOYSA-N
XLogP2.27
TPSA99.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 52.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 171034289) is [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(F)c(C3NNNN3)cc21.
What is the InChIKey of [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is RXJMKENAFBWKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O/c1-2-32-17-11-12(19-28-30-31-29-19)18(25)26-20(17)27-21(32)22(33,13-7-3-5-9-15(13)23)14-8-4-6-10-16(14)24/h3-11,19,28-31,33H,2H2,1H3.
What are the key properties of [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol has a molecular weight of 455.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 171034289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).