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

C22H22FN7O — CID 171034288

IUPAC[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(F)c(C3NNNN3)cc21
InChIInChI=1S/C22H22FN7O/c1-2-30-17-13-16(19-26-28-29-27-19)18(23)24-20(17)25-21(30)22(31,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19,26-29,31H,2H2,1H3
InChIKeyCSJMVMZDWHARGA-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.99
Rot. Bonds5

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

[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (PubChem CID 171034288) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
PubChem CID171034288
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(F)c(C3NNNN3)cc21
InChIInChI=1S/C22H22FN7O/c1-2-30-17-13-16(19-26-28-29-27-19)18(23)24-20(17)25-21(30)22(31,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19,26-29,31H,2H2,1H3
InChIKeyCSJMVMZDWHARGA-UHFFFAOYSA-N
XLogP1.99
TPSA99.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The IUPAC name of [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (CID 171034288) is [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The canonical SMILES for [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)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]-diphenylmethanol?
The InChIKey is CSJMVMZDWHARGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-2-30-17-13-16(19-26-28-29-27-19)18(23)24-20(17)25-21(30)22(31,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19,26-29,31H,2H2,1H3.
What are the key properties of [1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
[1-ethyl-5-fluoro-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol has a molecular weight of 419.46 g/mol, XLogP of 1.99, 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]-diphenylmethanol is sourced from PubChem (CID 171034288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).