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

C22H19N7O — CID 156855141

IUPAC[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ncc(-c3nn[nH]n3)cc21
InChIInChI=1S/C22H19N7O/c1-2-29-18-13-15(19-25-27-28-26-19)14-23-20(18)24-21(29)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,30H,2H2,1H3,(H,25,26,27,28)
InChIKeyJBUIMXHFOYEKCO-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.92
Rot. Bonds5

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

[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (PubChem CID 156855141) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
PubChem CID156855141
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ncc(-c3nn[nH]n3)cc21
InChIInChI=1S/C22H19N7O/c1-2-29-18-13-15(19-25-27-28-26-19)14-23-20(18)24-21(29)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,30H,2H2,1H3,(H,25,26,27,28)
InChIKeyJBUIMXHFOYEKCO-UHFFFAOYSA-N
XLogP2.92
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

FK-739 free acid
CID 9801627
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
US10399985, Example 3
CID 91826747
L 158338
CID 3036053
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
CID 156855165
[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
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
C2-substituted purine deriv. 3f
CID 6538954
US10399985, Example 18
CID 118278162
US10399985, Example 15
CID 118278198

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The IUPAC name of [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (CID 156855141) is [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The canonical SMILES for [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ncc(-c3nn[nH]n3)cc21.
What is the InChIKey of [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The InChIKey is JBUIMXHFOYEKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-2-29-18-13-15(19-25-27-28-26-19)14-23-20(18)24-21(29)22(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,30H,2H2,1H3,(H,25,26,27,28).
What are the key properties of [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol has a molecular weight of 397.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 156855141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).