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

C19H17N7O2S2 — CID 168740451

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol
SMILESCCn1c(C(O)(c2ccsc2)c2ccsc2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C19H17N7O2S2/c1-3-26-14-8-13(15-22-24-25-23-15)17(28-2)20-16(14)21-18(26)19(27,11-4-6-29-9-11)12-5-7-30-10-12/h4-10,27H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyLERSFVSEJFTYST-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.05
Rot. Bonds6

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

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol (PubChem CID 168740451) has the molecular formula C19H17N7O2S2 and a molecular weight of 439.53 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol
PubChem CID168740451
Molecular FormulaC19H17N7O2S2
Molecular Weight439.53 g/mol
Exact Mass439.09
IUPAC Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol
SMILESCCn1c(C(O)(c2ccsc2)c2ccsc2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C19H17N7O2S2/c1-3-26-14-8-13(15-22-24-25-23-15)17(28-2)20-16(14)21-18(26)19(27,11-4-6-29-9-11)12-5-7-30-10-12/h4-10,27H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyLERSFVSEJFTYST-UHFFFAOYSA-N
XLogP3.05
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 156855139
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CID 156855165
CID 156855168
CID 156855168
CID 164622430
CID 164622430
CID 164623287
CID 164623287
CID 166752058
CID 166752058
CID 168678825
CID 168678825
CID 171034278
CID 171034278
CID 171034281
CID 171034281
CID 19008894
CID 19008894
CID 68273726
CID 68273726
CID 156855148
CID 156855148

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]-di(thiophen-3-yl)methanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol (CID 168740451) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol is CCn1c(C(O)(c2ccsc2)c2ccsc2)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]-di(thiophen-3-yl)methanol?
The InChIKey is LERSFVSEJFTYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S2/c1-3-26-14-8-13(15-22-24-25-23-15)17(28-2)20-16(14)21-18(26)19(27,11-4-6-29-9-11)12-5-7-30-10-12/h4-10,27H,3H2,1-2H3,(H,22,23,24,25).
What are the key properties of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-di(thiophen-3-yl)methanol has a molecular weight of 439.53 g/mol, XLogP of 3.05, 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]-di(thiophen-3-yl)methanol is sourced from PubChem (CID 168740451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).