3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine

C25H22BrN9 — CID 139644506

IUPAC3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine
SMILESCCCCc1nc2cccnc2n1Cc1ccn2c(Br)c(-c3ccccc3-c3nn[nH]n3)nc2c1
InChIInChI=1S/C25H22BrN9/c1-2-3-10-20-28-19-9-6-12-27-25(19)35(20)15-16-11-13-34-21(14-16)29-22(23(34)26)17-7-4-5-8-18(17)24-30-32-33-31-24/h4-9,11-14H,2-3,10,15H2,1H3,(H,30,31,32,33)
InChIKeyGYHBUBNOFQTTPM-UHFFFAOYSA-N
MW528.42 g/mol
LogP5.08
Rot. Bonds7

About 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine

3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine (PubChem CID 139644506) has the molecular formula C25H22BrN9 and a molecular weight of 528.42 g/mol. Its IUPAC name is 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine
PubChem CID139644506
Molecular FormulaC25H22BrN9
Molecular Weight528.42 g/mol
Exact Mass527.12
IUPAC Name3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine
SMILESCCCCc1nc2cccnc2n1Cc1ccn2c(Br)c(-c3ccccc3-c3nn[nH]n3)nc2c1
InChIInChI=1S/C25H22BrN9/c1-2-3-10-20-28-19-9-6-12-27-25(19)35(20)15-16-11-13-34-21(14-16)29-22(23(34)26)17-7-4-5-8-18(17)24-30-32-33-31-24/h4-9,11-14H,2-3,10,15H2,1H3,(H,30,31,32,33)
InChIKeyGYHBUBNOFQTTPM-UHFFFAOYSA-N
XLogP5.08
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-bromo-6-[(2-butylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 67843183
2-butyl-5-(1,3-dioxan-2-yl)-6-pyridin-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100413
2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine
CID 67943889
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
2-[3-bromo-7-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 139644509
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67942959
2-butyl-6-(2-chlorophenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 10414314
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
5-[3-(2-butylimidazo[4,5-b]pyridin-3-yl)phenyl]-3-[2-(2H-tetrazol-5-yl)phenyl]-1,2-oxazole
CID 139644474
[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol
CID 70814746
5-[2-[3-bromo-5-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2H-tetrazole
CID 18950820
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237

Frequently Asked Questions

What is the IUPAC name of 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine (CID 139644506) is 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine is CCCCc1nc2cccnc2n1Cc1ccn2c(Br)c(-c3ccccc3-c3nn[nH]n3)nc2c1.
What is the InChIKey of 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine?
The InChIKey is GYHBUBNOFQTTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN9/c1-2-3-10-20-28-19-9-6-12-27-25(19)35(20)15-16-11-13-34-21(14-16)29-22(23(34)26)17-7-4-5-8-18(17)24-30-32-33-31-24/h4-9,11-14H,2-3,10,15H2,1H3,(H,30,31,32,33).
What are the key properties of 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine?
3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine has a molecular weight of 528.42 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-7-yl]methyl]-2-butylimidazo[4,5-b]pyridine is sourced from PubChem (CID 139644506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).