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

C22H21F2N7O — CID 171034295

IUPAC[1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCc1nc2nc(C(O)(c3ccccc3F)c3ccccc3F)n(C)c2cc1C1NNNN1
InChIInChI=1S/C22H21F2N7O/c1-12-13(19-27-29-30-28-19)11-18-20(25-12)26-21(31(18)2)22(32,14-7-3-5-9-16(14)23)15-8-4-6-10-17(15)24/h3-11,19,27-30,32H,1-2H3
InChIKeyPJUGKTRVYRZGMC-UHFFFAOYSA-N
MW437.45 g/mol
LogP1.95
Rot. Bonds4

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

[1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 171034295) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID171034295
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name[1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCc1nc2nc(C(O)(c3ccccc3F)c3ccccc3F)n(C)c2cc1C1NNNN1
InChIInChI=1S/C22H21F2N7O/c1-12-13(19-27-29-30-28-19)11-18-20(25-12)26-21(31(18)2)22(32,14-7-3-5-9-16(14)23)15-8-4-6-10-17(15)24/h3-11,19,27-30,32H,1-2H3
InChIKeyPJUGKTRVYRZGMC-UHFFFAOYSA-N
XLogP1.95
TPSA99.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 171034295) is [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is Cc1nc2nc(C(O)(c3ccccc3F)c3ccccc3F)n(C)c2cc1C1NNNN1.
What is the InChIKey of [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is PJUGKTRVYRZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-12-13(19-27-29-30-28-19)11-18-20(25-12)26-21(31(18)2)22(32,14-7-3-5-9-16(14)23)15-8-4-6-10-17(15)24/h3-11,19,27-30,32H,1-2H3.
What are the key properties of [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[1,5-dimethyl-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 1.95, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 171034295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).