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

C32H30N8O2 — CID 67759877

IUPAC2-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
SMILESCCCCc1nc2cc(-c3cccnc3)c(C3OCCO3)nc2n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C32H30N8O2/c1-2-3-11-28-34-27-18-25(23-10-7-14-33-19-23)29(32-41-15-16-42-32)35-31(27)40(28)20-21-12-13-24(22-8-5-4-6-9-22)26(17-21)30-36-38-39-37-30/h4-10,12-14,17-19,32H,2-3,11,15-16,20H2,1H3,(H,36,37,38,39)
InChIKeyGIMIFSCKKAMKMJ-UHFFFAOYSA-N
MW558.65 g/mol
LogP5.78
Rot. Bonds9

About 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

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 (PubChem CID 67759877) has the molecular formula C32H30N8O2 and a molecular weight of 558.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID67759877
Molecular FormulaC32H30N8O2
Molecular Weight558.65 g/mol
Exact Mass558.25
IUPAC Name2-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
SMILESCCCCc1nc2cc(-c3cccnc3)c(C3OCCO3)nc2n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C32H30N8O2/c1-2-3-11-28-34-27-18-25(23-10-7-14-33-19-23)29(32-41-15-16-42-32)35-31(27)40(28)20-21-12-13-24(22-8-5-4-6-9-22)26(17-21)30-36-38-39-37-30/h4-10,12-14,17-19,32H,2-3,11,15-16,20H2,1H3,(H,36,37,38,39)
InChIKeyGIMIFSCKKAMKMJ-UHFFFAOYSA-N
XLogP5.78
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.65
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-5-(dimethoxymethyl)-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100347
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-6-(1-oxidopyridin-1-ium-2-yl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazo[4,5-b]pyridin-5-yl]methanol
CID 23216593
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
5-[2-[4-[[2-butyl-4-(1,3-dioxolan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
CID 67647571
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
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-(1,3-dioxan-2-yl)imidazol-1-yl]methyl]-2-phenylphenyl]phenyl]-2H-tetrazole
CID 67649494
[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-5-(diethoxymethyl)-6-pyridin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22100352

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1nc2cc(-c3cccnc3)c(C3OCCO3)nc2n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 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?
The InChIKey is GIMIFSCKKAMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O2/c1-2-3-11-28-34-27-18-25(23-10-7-14-33-19-23)29(32-41-15-16-42-32)35-31(27)40(28)20-21-12-13-24(22-8-5-4-6-9-22)26(17-21)30-36-38-39-37-30/h4-10,12-14,17-19,32H,2-3,11,15-16,20H2,1H3,(H,36,37,38,39).
What are the key properties of 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?
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 has a molecular weight of 558.65 g/mol, XLogP of 5.78, 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-dioxolan-2-yl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-pyridin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 67759877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).