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

C19H17N7O2S2 — CID 166752058

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol
SMILESCCn1c(C(O)(c2cccs2)c2cccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C19H17N7O2S2/c1-3-26-12-10-11(15-22-24-25-23-15)17(28-2)20-16(12)21-18(26)19(27,13-6-4-8-29-13)14-7-5-9-30-14/h4-10,27H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyXFAHMXAHMKJDAQ-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]-dithiophen-2-ylmethanol

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol (PubChem CID 166752058) 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]-dithiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol
PubChem CID166752058
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]-dithiophen-2-ylmethanol
SMILESCCn1c(C(O)(c2cccs2)c2cccs2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C19H17N7O2S2/c1-3-26-12-10-11(15-22-24-25-23-15)17(28-2)20-16(12)21-18(26)19(27,13-6-4-8-29-13)14-7-5-9-30-14/h4-10,27H,3H2,1-2H3,(H,22,23,24,25)
InChIKeyXFAHMXAHMKJDAQ-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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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]-dithiophen-2-ylmethanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol (CID 166752058) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol is CCn1c(C(O)(c2cccs2)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]-dithiophen-2-ylmethanol?
The InChIKey is XFAHMXAHMKJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S2/c1-3-26-12-10-11(15-22-24-25-23-15)17(28-2)20-16(12)21-18(26)19(27,13-6-4-8-29-13)14-7-5-9-30-14/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]-dithiophen-2-ylmethanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-dithiophen-2-ylmethanol 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]-dithiophen-2-ylmethanol is sourced from PubChem (CID 166752058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).