N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine

C26H28N8 — CID 154422392

IUPACN,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCNc1c(C)nc2c(nc(CC)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C
InChIInChI=1S/C26H28N8/c1-5-22-29-24-16(3)23(27-6-2)17(4)28-26(24)34(22)15-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-30-32-33-31-25/h7-14,27H,5-6,15H2,1-4H3,(H,30,31,32,33)
InChIKeyMKXVCPCYLNDFLG-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.94
Rot. Bonds7

About N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine

N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine (PubChem CID 154422392) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound NameN,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine
PubChem CID154422392
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC NameN,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine
SMILESCCNc1c(C)nc2c(nc(CC)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C
InChIInChI=1S/C26H28N8/c1-5-22-29-24-16(3)23(27-6-2)17(4)28-26(24)34(22)15-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-30-32-33-31-25/h7-14,27H,5-6,15H2,1-4H3,(H,30,31,32,33)
InChIKeyMKXVCPCYLNDFLG-UHFFFAOYSA-N
XLogP4.94
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052
2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
CID 154422383
2-ethyl-7-methoxy-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154480338
2,7-diethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine
CID 67741029
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
2-ethyl-3-[[4-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,7-dimethylimidazo[4,5-b]pyridine
CID 154422399
2-ethyl-5,7-dimethyl-3-[[4-[5-(6-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 138743972
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
6-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole
CID 57133212
2-ethyl-5,7-dimethyl-3-[[4-[5-pyridin-3-yl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 138743488
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
2-ethoxy-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15288822

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine?
The IUPAC name of N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine (CID 154422392) is N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine is CCNc1c(C)nc2c(nc(CC)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C.
What is the InChIKey of N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine?
The InChIKey is MKXVCPCYLNDFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-5-22-29-24-16(3)23(27-6-2)17(4)28-26(24)34(22)15-18-11-13-19(14-12-18)20-9-7-8-10-21(20)25-30-32-33-31-25/h7-14,27H,5-6,15H2,1-4H3,(H,30,31,32,33).
What are the key properties of N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine?
N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine has a molecular weight of 452.57 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 154422392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).