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

C23H23F2N7O — CID 171034297

IUPAC[1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(C)c(C3NNNN3)cc21
InChIInChI=1S/C23H23F2N7O/c1-3-32-19-12-14(20-28-30-31-29-20)13(2)26-21(19)27-22(32)23(33,15-8-4-6-10-17(15)24)16-9-5-7-11-18(16)25/h4-12,20,28-31,33H,3H2,1-2H3
InChIKeyWULIYNVRCARLFT-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.44
Rot. Bonds5

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

[1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 171034297) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID171034297
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name[1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(C)c(C3NNNN3)cc21
InChIInChI=1S/C23H23F2N7O/c1-3-32-19-12-14(20-28-30-31-29-20)13(2)26-21(19)27-22(32)23(33,15-8-4-6-10-17(15)24)16-9-5-7-11-18(16)25/h4-12,20,28-31,33H,3H2,1-2H3
InChIKeyWULIYNVRCARLFT-UHFFFAOYSA-N
XLogP2.44
TPSA99.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 171034297) is [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(C)c(C3NNNN3)cc21.
What is the InChIKey of [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is WULIYNVRCARLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O/c1-3-32-19-12-14(20-28-30-31-29-20)13(2)26-21(19)27-22(32)23(33,15-8-4-6-10-17(15)24)16-9-5-7-11-18(16)25/h4-12,20,28-31,33H,3H2,1-2H3.
What are the key properties of [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol has a molecular weight of 451.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 171034297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).