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

C22H20N8O2 — CID 164621280

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccn2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C22H20N8O2/c1-3-30-16-13-15(18-26-28-29-27-18)20(32-2)24-19(16)25-21(30)22(31,14-9-5-4-6-10-14)17-11-7-8-12-23-17/h4-13,31H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyZVLVRPZRYVSTFH-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.32
Rot. Bonds6

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

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol (PubChem CID 164621280) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
PubChem CID164621280
Molecular FormulaC22H20N8O2
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccn2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C22H20N8O2/c1-3-30-16-13-15(18-26-28-29-27-18)20(32-2)24-19(16)25-21(30)22(31,14-9-5-4-6-10-14)17-11-7-8-12-23-17/h4-13,31H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyZVLVRPZRYVSTFH-UHFFFAOYSA-N
XLogP2.32
TPSA127.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.32
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-pyridin-2-ylmethanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol (CID 164621280) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-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-pyridin-2-ylmethanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccn2)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-pyridin-2-ylmethanol?
The InChIKey is ZVLVRPZRYVSTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c1-3-30-16-13-15(18-26-28-29-27-18)20(32-2)24-19(16)25-21(30)22(31,14-9-5-4-6-10-14)17-11-7-8-12-23-17/h4-13,31H,3H2,1-2H3,(H,26,27,28,29).
What are the key properties of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol has a molecular weight of 428.46 g/mol, XLogP of 2.32, 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-pyridin-2-ylmethanol is sourced from PubChem (CID 164621280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).