[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol

C20H18N8O2S — CID 156855139

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
SMILESCCn1c(C(O)(c2ccccc2)c2nccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C20H18N8O2S/c1-3-28-14-11-13(15-24-26-27-25-15)17(30-2)22-16(14)23-18(28)20(29,19-21-9-10-31-19)12-7-5-4-6-8-12/h4-11,29H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyNTXZYDIPVAVKCS-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.38
Rot. Bonds6

About [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol (PubChem CID 156855139) has the molecular formula C20H18N8O2S and a molecular weight of 434.49 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
PubChem CID156855139
Molecular FormulaC20H18N8O2S
Molecular Weight434.49 g/mol
Exact Mass434.13
IUPAC Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol
SMILESCCn1c(C(O)(c2ccccc2)c2nccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C20H18N8O2S/c1-3-28-14-11-13(15-24-26-27-25-15)17(30-2)22-16(14)23-18(28)20(29,19-21-9-10-31-19)12-7-5-4-6-8-12/h4-11,29H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyNTXZYDIPVAVKCS-UHFFFAOYSA-N
XLogP2.38
TPSA127.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol (CID 156855139) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol is CCn1c(C(O)(c2ccccc2)c2nccs2)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-(1,3-thiazol-2-yl)methanol?
The InChIKey is NTXZYDIPVAVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2S/c1-3-28-14-11-13(15-24-26-27-25-15)17(30-2)22-16(14)23-18(28)20(29,19-21-9-10-31-19)12-7-5-4-6-8-12/h4-11,29H,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-(1,3-thiazol-2-yl)methanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-(1,3-thiazol-2-yl)methanol has a molecular weight of 434.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 156855139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).