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

C33H32N8O2 — CID 22100413

IUPAC2-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
SMILESCCCCc1nc2cc(-c3ccccn3)c(C3OCCCO3)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C33H32N8O2/c1-2-3-12-29-35-28-20-26(27-11-6-7-17-34-27)30(33-42-18-8-19-43-33)36-32(28)41(29)21-22-13-15-23(16-14-22)24-9-4-5-10-25(24)31-37-39-40-38-31/h4-7,9-11,13-17,20,33H,2-3,8,12,18-19,21H2,1H3,(H,37,38,39,40)
InChIKeyDAWJWUYCQFUSQM-UHFFFAOYSA-N
MW572.67 g/mol
LogP6.17
Rot. Bonds9

About 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

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 (PubChem CID 22100413) has the molecular formula C33H32N8O2 and a molecular weight of 572.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID22100413
Molecular FormulaC33H32N8O2
Molecular Weight572.67 g/mol
Exact Mass572.26
IUPAC Name2-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
SMILESCCCCc1nc2cc(-c3ccccn3)c(C3OCCCO3)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C33H32N8O2/c1-2-3-12-29-35-28-20-26(27-11-6-7-17-34-27)30(33-42-18-8-19-43-33)36-32(28)41(29)21-22-13-15-23(16-14-22)24-9-4-5-10-25(24)31-37-39-40-38-31/h4-7,9-11,13-17,20,33H,2-3,8,12,18-19,21H2,1H3,(H,37,38,39,40)
InChIKeyDAWJWUYCQFUSQM-UHFFFAOYSA-N
XLogP6.17
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-butyl-5-(1,3-dioxolan-2-yl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-pyridin-3-ylimidazo[4,5-b]pyridine
CID 67759877
2-[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 67910307
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
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
2-butyl-6-(phenoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 18942283
2-butyl-6-[hydroxy(oxolan-2-yl)methyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19098122
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-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100347
[2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-phenylmethanol
CID 70814746
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 139650665
5-[2-[4-[[2-butyl-4-chloro-5-(5,5-dimethyl-1,3-dioxan-2-yl)imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 70296226
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1nc2cc(-c3ccccn3)c(C3OCCCO3)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 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?
The InChIKey is DAWJWUYCQFUSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O2/c1-2-3-12-29-35-28-20-26(27-11-6-7-17-34-27)30(33-42-18-8-19-43-33)36-32(28)41(29)21-22-13-15-23(16-14-22)24-9-4-5-10-25(24)31-37-39-40-38-31/h4-7,9-11,13-17,20,33H,2-3,8,12,18-19,21H2,1H3,(H,37,38,39,40).
What are the key properties of 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?
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 has a molecular weight of 572.67 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22100413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).