3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

C28H29N7 — CID 163899306

IUPAC3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1/C2=C\C1=NNNN1
InChIInChI=1S/C28H29N7/c1-4-26-30-27-17(2)13-18(3)29-28(27)35(26)16-19-9-12-23-21(14-19)11-10-20-7-5-6-8-22(20)24(23)15-25-31-33-34-32-25/h5-9,12-15,33-34H,4,10-11,16H2,1-3H3,(H,31,32)/b24-15+
InChIKeyQIKKTRQAZSBLMP-BUVRLJJBSA-N
MW463.59 g/mol
LogP4.12
Rot. Bonds4

About 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine (PubChem CID 163899306) has the molecular formula C28H29N7 and a molecular weight of 463.59 g/mol. Its IUPAC name is 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
PubChem CID163899306
Molecular FormulaC28H29N7
Molecular Weight463.59 g/mol
Exact Mass463.25
IUPAC Name3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1/C2=C\C1=NNNN1
InChIInChI=1S/C28H29N7/c1-4-26-30-27-17(2)13-18(3)29-28(27)35(26)16-19-9-12-23-21(14-19)11-10-20-7-5-6-8-22(20)24(23)15-25-31-33-34-32-25/h5-9,12-15,33-34H,4,10-11,16H2,1-3H3,(H,31,32)/b24-15+
InChIKeyQIKKTRQAZSBLMP-BUVRLJJBSA-N
XLogP4.12
TPSA79.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

Analyze 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine 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 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine (CID 163899306) is 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1/C2=C\C1=NNNN1.
What is the InChIKey of 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
The InChIKey is QIKKTRQAZSBLMP-BUVRLJJBSA-N. The full InChI is InChI=1S/C28H29N7/c1-4-26-30-27-17(2)13-18(3)29-28(27)35(26)16-19-9-12-23-21(14-19)11-10-20-7-5-6-8-22(20)24(23)15-25-31-33-34-32-25/h5-9,12-15,33-34H,4,10-11,16H2,1-3H3,(H,31,32)/b24-15+.
What are the key properties of 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine?
3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine has a molecular weight of 463.59 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E)-2-(2,3-dihydro-1H-tetrazol-5-ylmethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 163899306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).