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

C21H19N7O2S — CID 156855168

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2cccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C21H19N7O2S/c1-3-28-15-12-14(17-24-26-27-25-17)19(30-2)22-18(15)23-20(28)21(29,16-10-7-11-31-16)13-8-5-4-6-9-13/h4-12,29H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyVLKWZCMEFQGQGL-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.99
Rot. Bonds6

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

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol (PubChem CID 156855168) has the molecular formula C21H19N7O2S and a molecular weight of 433.50 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol
PubChem CID156855168
Molecular FormulaC21H19N7O2S
Molecular Weight433.50 g/mol
Exact Mass433.13
IUPAC Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2cccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C21H19N7O2S/c1-3-28-15-12-14(17-24-26-27-25-17)19(30-2)22-18(15)23-20(28)21(29,16-10-7-11-31-16)13-8-5-4-6-9-13/h4-12,29H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyVLKWZCMEFQGQGL-UHFFFAOYSA-N
XLogP2.99
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol (CID 156855168) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol is CCn1c(C(O)(c2ccccc2)c2cccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21.
What is the InChIKey of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol?
The InChIKey is VLKWZCMEFQGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2S/c1-3-28-15-12-14(17-24-26-27-25-17)19(30-2)22-18(15)23-20(28)21(29,16-10-7-11-31-16)13-8-5-4-6-9-13/h4-12,29H,3H2,1-2H3,(H,24,25,26,27).
What are the key properties of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol has a molecular weight of 433.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol is sourced from PubChem (CID 156855168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).