7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine

C24H22N10 — CID 54229757

IUPAC7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine
SMILESCCCCc1nc2cccnc2n1-c1ccnc2c1nc(-c1ccc(C)cc1)n2-c1nn[nH]n1
InChIInChI=1S/C24H22N10/c1-3-4-7-19-27-17-6-5-13-25-22(17)33(19)18-12-14-26-23-20(18)28-21(16-10-8-15(2)9-11-16)34(23)24-29-31-32-30-24/h5-6,8-14H,3-4,7H2,1-2H3,(H,29,30,31,32)
InChIKeyQIKLKSQPNZGJAK-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.99
Rot. Bonds6

About 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine

7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine (PubChem CID 54229757) has the molecular formula C24H22N10 and a molecular weight of 450.51 g/mol. Its IUPAC name is 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine
PubChem CID54229757
Molecular FormulaC24H22N10
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC Name7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine
SMILESCCCCc1nc2cccnc2n1-c1ccnc2c1nc(-c1ccc(C)cc1)n2-c1nn[nH]n1
InChIInChI=1S/C24H22N10/c1-3-4-7-19-27-17-6-5-13-25-22(17)33(19)18-12-14-26-23-20(18)28-21(16-10-8-15(2)9-11-16)34(23)24-29-31-32-30-24/h5-6,8-14H,3-4,7H2,1-2H3,(H,29,30,31,32)
InChIKeyQIKLKSQPNZGJAK-UHFFFAOYSA-N
XLogP3.99
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole
CID 67848996
2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine
CID 67943889
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole
CID 139644474
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159732
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159751
2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole
CID 67722836
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506

Frequently Asked Questions

What is the IUPAC name of 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine (CID 54229757) is 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine is CCCCc1nc2cccnc2n1-c1ccnc2c1nc(-c1ccc(C)cc1)n2-c1nn[nH]n1.
What is the InChIKey of 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine?
The InChIKey is QIKLKSQPNZGJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N10/c1-3-4-7-19-27-17-6-5-13-25-22(17)33(19)18-12-14-26-23-20(18)28-21(16-10-8-15(2)9-11-16)34(23)24-29-31-32-30-24/h5-6,8-14H,3-4,7H2,1-2H3,(H,29,30,31,32).
What are the key properties of 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine?
7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine has a molecular weight of 450.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 54229757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).