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

C22H23N7O2 — CID 171034276

IUPAC[5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCOc1nc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2cc1C1NNNN1
InChIInChI=1S/C22H23N7O2/c1-29-17-13-16(18-25-27-28-26-18)20(31-2)23-19(17)24-21(29)22(30,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18,25-28,30H,1-2H3
InChIKeyNMYZOEOAZAPWKW-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.38
Rot. Bonds5

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

[5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (PubChem CID 171034276) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
PubChem CID171034276
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name[5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCOc1nc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2cc1C1NNNN1
InChIInChI=1S/C22H23N7O2/c1-29-17-13-16(18-25-27-28-26-18)20(31-2)23-19(17)24-21(29)22(30,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18,25-28,30H,1-2H3
InChIKeyNMYZOEOAZAPWKW-UHFFFAOYSA-N
XLogP1.38
TPSA108.29 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The IUPAC name of [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (CID 171034276) is [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The canonical SMILES for [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is COc1nc2nc(C(O)(c3ccccc3)c3ccccc3)n(C)c2cc1C1NNNN1.
What is the InChIKey of [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The InChIKey is NMYZOEOAZAPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-29-17-13-16(18-25-27-28-26-18)20(31-2)23-19(17)24-21(29)22(30,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18,25-28,30H,1-2H3.
What are the key properties of [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
[5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol has a molecular weight of 417.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-methyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 171034276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).