[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol

C21H23N7O2S — CID 171034281

IUPAC[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccsc2)nc2nc(OC)c(C3NNNN3)cc21
InChIInChI=1S/C21H23N7O2S/c1-3-28-16-11-15(17-24-26-27-25-17)19(30-2)22-18(16)23-20(28)21(29,14-9-10-31-12-14)13-7-5-4-6-8-13/h4-12,17,24-27,29H,3H2,1-2H3
InChIKeyXASUYLZHQKZLCU-UHFFFAOYSA-N
MW437.53 g/mol
LogP1.92
Rot. Bonds6

About [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol

[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol (PubChem CID 171034281) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol
PubChem CID171034281
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Name[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccsc2)nc2nc(OC)c(C3NNNN3)cc21
InChIInChI=1S/C21H23N7O2S/c1-3-28-16-11-15(17-24-26-27-25-17)19(30-2)22-18(16)23-20(28)21(29,14-9-10-31-12-14)13-7-5-4-6-8-13/h4-12,17,24-27,29H,3H2,1-2H3
InChIKeyXASUYLZHQKZLCU-UHFFFAOYSA-N
XLogP1.92
TPSA108.29 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 51.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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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]-phenyl-thiophen-3-ylmethanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol (CID 171034281) is [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol is CCn1c(C(O)(c2ccccc2)c2ccsc2)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]-phenyl-thiophen-3-ylmethanol?
The InChIKey is XASUYLZHQKZLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-3-28-16-11-15(17-24-26-27-25-17)19(30-2)22-18(16)23-20(28)21(29,14-9-10-31-12-14)13-7-5-4-6-8-13/h4-12,17,24-27,29H,3H2,1-2H3.
What are the key properties of [1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol?
[1-ethyl-5-methoxy-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-3-ylmethanol has a molecular weight of 437.53 g/mol, XLogP of 1.92, 6 rotatable bonds, 5 hydrogen bond donors, and 10 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]-phenyl-thiophen-3-ylmethanol is sourced from PubChem (CID 171034281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).