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

C22H21F2N7O — CID 171034299

IUPAC[1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2ncc(C3NNNN3)cc21
InChIInChI=1S/C22H21F2N7O/c1-2-31-18-11-13(19-27-29-30-28-19)12-25-20(18)26-21(31)22(32,14-7-3-5-9-16(14)23)15-8-4-6-10-17(15)24/h3-12,19,27-30,32H,2H2,1H3
InChIKeyUOWFGOSYIAIMAP-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.13
Rot. Bonds5

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

[1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 171034299) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID171034299
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name[1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2ncc(C3NNNN3)cc21
InChIInChI=1S/C22H21F2N7O/c1-2-31-18-11-13(19-27-29-30-28-19)12-25-20(18)26-21(31)22(32,14-7-3-5-9-16(14)23)15-8-4-6-10-17(15)24/h3-12,19,27-30,32H,2H2,1H3
InChIKeyUOWFGOSYIAIMAP-UHFFFAOYSA-N
XLogP2.13
TPSA99.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 171034299) is [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2ncc(C3NNNN3)cc21.
What is the InChIKey of [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is UOWFGOSYIAIMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-2-31-18-11-13(19-27-29-30-28-19)12-25-20(18)26-21(31)22(32,14-7-3-5-9-16(14)23)15-8-4-6-10-17(15)24/h3-12,19,27-30,32H,2H2,1H3.
What are the key properties of [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol has a molecular weight of 437.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 171034299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).