[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol

C20H22N8O2S — CID 171034278

IUPAC[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccn2)c2cccs2)nc2nc(OC)c(C3NNNN3)cc21
InChIInChI=1S/C20H22N8O2S/c1-3-28-13-11-12(16-24-26-27-25-16)18(30-2)22-17(13)23-19(28)20(29,15-8-6-10-31-15)14-7-4-5-9-21-14/h4-11,16,24-27,29H,3H2,1-2H3
InChIKeyOSHFXAJHFVUBDR-UHFFFAOYSA-N
MW438.52 g/mol
LogP1.32
Rot. Bonds6

About [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol

[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol (PubChem CID 171034278) has the molecular formula C20H22N8O2S and a molecular weight of 438.52 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol
PubChem CID171034278
Molecular FormulaC20H22N8O2S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC Name[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccn2)c2cccs2)nc2nc(OC)c(C3NNNN3)cc21
InChIInChI=1S/C20H22N8O2S/c1-3-28-13-11-12(16-24-26-27-25-16)18(30-2)22-17(13)23-19(28)20(29,15-8-6-10-31-15)14-7-4-5-9-21-14/h4-11,16,24-27,29H,3H2,1-2H3
InChIKeyOSHFXAJHFVUBDR-UHFFFAOYSA-N
XLogP1.32
TPSA121.18 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 51.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol (CID 171034278) is [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol is CCn1c(C(O)(c2ccccn2)c2cccs2)nc2nc(OC)c(C3NNNN3)cc21.
What is the InChIKey of [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol?
The InChIKey is OSHFXAJHFVUBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2S/c1-3-28-13-11-12(16-24-26-27-25-16)18(30-2)22-17(13)23-19(28)20(29,15-8-6-10-31-15)14-7-4-5-9-21-14/h4-11,16,24-27,29H,3H2,1-2H3.
What are the key properties of [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol?
[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol has a molecular weight of 438.52 g/mol, XLogP of 1.32, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-pyridin-2-yl-thiophen-2-ylmethanol is sourced from PubChem (CID 171034278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).