4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline

C26H28N8 — CID 10004013

IUPAC4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C26H28N8/c1-5-22-28-23-17(2)15-18(3)27-26(23)34(22)16-19-11-13-21(14-12-19)33(4)24(25-29-31-32-30-25)20-9-7-6-8-10-20/h6-15,24H,5,16H2,1-4H3,(H,29,30,31,32)
InChIKeyPBIGCYDVMQOVKU-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.40
Rot. Bonds7

About 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline

4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline (PubChem CID 10004013) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline
PubChem CID10004013
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(c2ccccc2)c2nn[nH]n2)cc1
InChIInChI=1S/C26H28N8/c1-5-22-28-23-17(2)15-18(3)27-26(23)34(22)16-19-11-13-21(14-12-19)33(4)24(25-29-31-32-30-25)20-9-7-6-8-10-20/h6-15,24H,5,16H2,1-4H3,(H,29,30,31,32)
InChIKeyPBIGCYDVMQOVKU-UHFFFAOYSA-N
XLogP4.40
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
The IUPAC name of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline (CID 10004013) is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
The canonical SMILES for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(c2ccccc2)c2nn[nH]n2)cc1.
What is the InChIKey of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
The InChIKey is PBIGCYDVMQOVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-5-22-28-23-17(2)15-18(3)27-26(23)34(22)16-19-11-13-21(14-12-19)33(4)24(25-29-31-32-30-25)20-9-7-6-8-10-20/h6-15,24H,5,16H2,1-4H3,(H,29,30,31,32).
What are the key properties of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline?
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline has a molecular weight of 452.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-methyl-N-[phenyl(2H-tetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 10004013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).