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

C23H21N7O2 — CID 156855165

IUPAC[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C23H21N7O2/c1-3-30-18-14-17(19-26-28-29-27-19)21(32-2)24-20(18)25-22(30)23(31,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,31H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyPIORGXJUYSQCOG-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.92
Rot. Bonds6

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

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (PubChem CID 156855165) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
PubChem CID156855165
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(OC)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C23H21N7O2/c1-3-30-18-14-17(19-26-28-29-27-19)21(32-2)24-20(18)25-22(30)23(31,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,31H,3H2,1-2H3,(H,26,27,28,29)
InChIKeyPIORGXJUYSQCOG-UHFFFAOYSA-N
XLogP2.92
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[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
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol
CID 156855168
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
CID 164620295
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
CID 164621280
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
CID 164622430
2-[bis(2-fluorophenyl)-hydroxymethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164626191
5,7-dimethyl-2-propyl-3-[[5-(2H-tetrazol-5-yl)benzo[b][1]benzoxepin-2-yl]methyl]imidazo[4,5-b]pyridine
CID 11754146
2-butyl-5-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 19792185
[1,5-dimethy-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(2-fluorophenyl)methanol
CID 171034295
2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-3-methoxy-6-methylpyridine
CID 44330699
2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 19792154
2-butyl-6-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 44295557

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]-diphenylmethanol?
The IUPAC name of [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (CID 156855165) is [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The canonical SMILES for [1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)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]-diphenylmethanol?
The InChIKey is PIORGXJUYSQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-3-30-18-14-17(19-26-28-29-27-19)21(32-2)24-20(18)25-22(30)23(31,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,31H,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]-diphenylmethanol?
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol has a molecular weight of 427.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]-diphenylmethanol is sourced from PubChem (CID 156855165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).