[1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol

C23H19F2N7O — CID 168740445

IUPAC[1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(C)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C23H19F2N7O/c1-3-32-19-12-14(20-28-30-31-29-20)13(2)26-21(19)27-22(32)23(33,15-8-4-6-10-17(15)24)16-9-5-7-11-18(16)25/h4-12,33H,3H2,1-2H3,(H,28,29,30,31)
InChIKeyINIFVODFCJGLBP-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.50
Rot. Bonds5

About [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol

[1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (PubChem CID 168740445) has the molecular formula C23H19F2N7O and a molecular weight of 447.45 g/mol. Its IUPAC name is [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
PubChem CID168740445
Molecular FormulaC23H19F2N7O
Molecular Weight447.45 g/mol
Exact Mass447.16
IUPAC Name[1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol
SMILESCCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(C)c(-c3nn[nH]n3)cc21
InChIInChI=1S/C23H19F2N7O/c1-3-32-19-12-14(20-28-30-31-29-20)13(2)26-21(19)27-22(32)23(33,15-8-4-6-10-17(15)24)16-9-5-7-11-18(16)25/h4-12,33H,3H2,1-2H3,(H,28,29,30,31)
InChIKeyINIFVODFCJGLBP-UHFFFAOYSA-N
XLogP3.50
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-pyrimidin-2-ylmethanol
CID 164620295
[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
CID 156855141
3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine
CID 151541219
5-(3-chlorophenyl)-2H-tetrazole;5-(2-fluorophenyl)-2H-tetrazole;octakis(5-(4-methylphenyl)-2H-tetrazole);5-phenyl-2H-tetrazole
CID 159225872
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
CID 176978800
[7-chloro-3-ethyl-6-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-diphenylmethanol
CID 168740456
3-[2-[(2,4-difluorophenyl)-(3-fluoro-2-pyridinyl)-hydroxymethyl]-3-ethylbenzimidazol-5-yl]propan-1-ol
CID 126726371
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
ethyl 5-(2-hydroxypropan-2-yl)-2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 143199226
2-ethoxy-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15288822
1-(2-tert-butyl-6-fluorophenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 22566817

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The IUPAC name of [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol (CID 168740445) is [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol.
What is the SMILES notation for [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The canonical SMILES for [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is CCn1c(C(O)(c2ccccc2F)c2ccccc2F)nc2nc(C)c(-c3nn[nH]n3)cc21.
What is the InChIKey of [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
The InChIKey is INIFVODFCJGLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O/c1-3-32-19-12-14(20-28-30-31-29-20)13(2)26-21(19)27-22(32)23(33,15-8-4-6-10-17(15)24)16-9-5-7-11-18(16)25/h4-12,33H,3H2,1-2H3,(H,28,29,30,31).
What are the key properties of [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol?
[1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol has a molecular weight of 447.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-methyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-bis(2-fluorophenyl)methanol is sourced from PubChem (CID 168740445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).