5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine

C28H27N7 — CID 10004498

IUPAC5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)Cc1ccccc1C=C2c1nn[nH]n1
InChIInChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)
InChIKeyYJRPZGMZTSLDDN-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.06
Rot. Bonds5

About 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine

5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 10004498) has the molecular formula C28H27N7 and a molecular weight of 461.57 g/mol. Its IUPAC name is 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID10004498
Molecular FormulaC28H27N7
Molecular Weight461.57 g/mol
Exact Mass461.23
IUPAC Name5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)Cc1ccccc1C=C2c1nn[nH]n1
InChIInChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)
InChIKeyYJRPZGMZTSLDDN-UHFFFAOYSA-N
XLogP5.06
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[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 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine (CID 10004498) is 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine is CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)Cc1ccccc1C=C2c1nn[nH]n1.
What is the InChIKey of 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is YJRPZGMZTSLDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34).
What are the key properties of 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine?
5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 461.57 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 10004498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).