[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol

C32H31N7O — CID 70814746

IUPAC[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol
SMILESCCCCc1nc2cc(C(O)c3ccccc3)c(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H31N7O/c1-3-4-14-29-34-28-19-27(30(40)24-10-6-5-7-11-24)21(2)33-32(28)39(29)20-22-15-17-23(18-16-22)25-12-8-9-13-26(25)31-35-37-38-36-31/h5-13,15-19,30,40H,3-4,14,20H2,1-2H3,(H,35,36,37,38)
InChIKeyMGIHXICFOMNGDG-UHFFFAOYSA-N
MW529.65 g/mol
LogP6.06
Rot. Bonds9

About [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol

[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol (PubChem CID 70814746) has the molecular formula C32H31N7O and a molecular weight of 529.65 g/mol. Its IUPAC name is [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol
PubChem CID70814746
Molecular FormulaC32H31N7O
Molecular Weight529.65 g/mol
Exact Mass529.26
IUPAC Name[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol
SMILESCCCCc1nc2cc(C(O)c3ccccc3)c(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H31N7O/c1-3-4-14-29-34-28-19-27(30(40)24-10-6-5-7-11-24)21(2)33-32(28)39(29)20-22-15-17-23(18-16-22)25-12-8-9-13-26(25)31-35-37-38-36-31/h5-13,15-19,30,40H,3-4,14,20H2,1-2H3,(H,35,36,37,38)
InChIKeyMGIHXICFOMNGDG-UHFFFAOYSA-N
XLogP6.06
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.65
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-5-methyl-6-(4-methyl-1-oxidopyridin-1-ium-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 21472362
6-[2-butyl-5-methyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-3-methyl-1H-pyridin-2-one
CID 67698006
2-butyl-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100347
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
2-butyl-5-(diethoxymethyl)-6-pyridin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100352
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
2-butyl-5-(dimethoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-thiophen-2-ylimidazo[4,5-b]pyridine
CID 22100409
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
2-butyl-5-(dimethoxymethyl)-6-(2-nitrophenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 51030762

Frequently Asked Questions

What is the IUPAC name of [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol?
The IUPAC name of [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol (CID 70814746) is [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol.
What is the SMILES notation for [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol?
The canonical SMILES for [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol is CCCCc1nc2cc(C(O)c3ccccc3)c(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol?
The InChIKey is MGIHXICFOMNGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O/c1-3-4-14-29-34-28-19-27(30(40)24-10-6-5-7-11-24)21(2)33-32(28)39(29)20-22-15-17-23(18-16-22)25-12-8-9-13-26(25)31-35-37-38-36-31/h5-13,15-19,30,40H,3-4,14,20H2,1-2H3,(H,35,36,37,38).
What are the key properties of [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol?
[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol has a molecular weight of 529.65 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol is sourced from PubChem (CID 70814746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).