2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine

C28H27N7 — CID 69015723

IUPAC2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)ccnc2n1Cc1ccc2c(c1)CCc1ccccc1C2=C(C)c1nn[nH]n1
InChIInChI=1S/C28H27N7/c1-4-24-30-26-17(2)13-14-29-28(26)35(24)16-19-9-12-23-21(15-19)11-10-20-7-5-6-8-22(20)25(23)18(3)27-31-33-34-32-27/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,31,32,33,34)
InChIKeyHASRIDQSRUZGGX-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.94
Rot. Bonds4

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

2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 69015723) has the molecular formula C28H27N7 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID69015723
Molecular FormulaC28H27N7
Molecular Weight461.57 g/mol
Exact Mass461.23
IUPAC Name2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)ccnc2n1Cc1ccc2c(c1)CCc1ccccc1C2=C(C)c1nn[nH]n1
InChIInChI=1S/C28H27N7/c1-4-24-30-26-17(2)13-14-29-28(26)35(24)16-19-9-12-23-21(15-19)11-10-20-7-5-6-8-22(20)25(23)18(3)27-31-33-34-32-27/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,31,32,33,34)
InChIKeyHASRIDQSRUZGGX-UHFFFAOYSA-N
XLogP4.94
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-ethyl-5-methyl-3-[[(2E)-2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
CID 25003241
2-cyclopropyl-7-methyl-3-[[(11Z)-11-[1-(2H-tetrazol-5-yl)ethylidene]-6H-benzo[c][1]benzoxepin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 67210983
7-chloro-2-ethyl-5-methyl-3-[[(11Z)-11-[1-(2H-tetrazol-5-yl)ethylidene]-6H-benzo[c][1]benzoxepin-8-yl]methyl]imidazo[4,5-b]pyridine
CID 69019011
1-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]benzimidazole
CID 67211130
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
(2Z)-2-[8-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]acetonitrile
CID 69015049
2-[6-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]propanenitrile
CID 69017939
(2Z)-2-[8-[(7-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)methyl]-6H-benzo[c][1]benzoxepin-11-ylidene]propanenitrile
CID 69019129
2-ethyl-7-methyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19889371
3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-5,6-dihydrobenzo[b][1]benzazepine-11-carbaldehyde
CID 18998684
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
5-chloro-2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418052

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine (CID 69015723) is 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)ccnc2n1Cc1ccc2c(c1)CCc1ccccc1C2=C(C)c1nn[nH]n1.
What is the InChIKey of 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is HASRIDQSRUZGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7/c1-4-24-30-26-17(2)13-14-29-28(26)35(24)16-19-9-12-23-21(15-19)11-10-20-7-5-6-8-22(20)25(23)18(3)27-31-33-34-32-27/h5-9,12-15H,4,10-11,16H2,1-3H3,(H,31,32,33,34).
What are the key properties of 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 461.57 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-3-[[2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 69015723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).