[3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol

C23H23FN6O — CID 171034262

IUPAC[3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(C3NNNN3)cn12
InChIInChI=1S/C23H23FN6O/c1-2-19-21(23(31,15-9-5-3-6-10-15)16-11-7-4-8-12-16)25-20-13-18(24)17(14-30(19)20)22-26-28-29-27-22/h3-14,22,26-29,31H,2H2,1H3
InChIKeyIHJYTHXXFCSDQD-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.44
Rot. Bonds5

About [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol

[3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol (PubChem CID 171034262) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
PubChem CID171034262
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name[3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(C3NNNN3)cn12
InChIInChI=1S/C23H23FN6O/c1-2-19-21(23(31,15-9-5-3-6-10-15)16-11-7-4-8-12-16)25-20-13-18(24)17(14-30(19)20)22-26-28-29-27-22/h3-14,22,26-29,31H,2H2,1H3
InChIKeyIHJYTHXXFCSDQD-UHFFFAOYSA-N
XLogP2.44
TPSA85.65 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
The IUPAC name of [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol (CID 171034262) is [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
The canonical SMILES for [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol is CCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(C3NNNN3)cn12.
What is the InChIKey of [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
The InChIKey is IHJYTHXXFCSDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-2-19-21(23(31,15-9-5-3-6-10-15)16-11-7-4-8-12-16)25-20-13-18(24)17(14-30(19)20)22-26-28-29-27-22/h3-14,22,26-29,31H,2H2,1H3.
What are the key properties of [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol?
[3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol has a molecular weight of 418.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-7-fluoro-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 171034262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).