2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine

C27H26N8 — CID 10479472

IUPAC2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2-c2nn[nH]n2)c1
InChIInChI=1S/C27H26N8/c1-4-24-29-25-17(2)13-18(3)28-27(25)35(24)15-19-9-10-23-20(14-19)11-12-34(23)16-21-7-5-6-8-22(21)26-30-32-33-31-26/h5-14H,4,15-16H2,1-3H3,(H,30,31,32,33)
InChIKeyKISRTCGHXIJOLE-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.84
Rot. Bonds6

About 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine

2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 10479472) has the molecular formula C27H26N8 and a molecular weight of 462.56 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID10479472
Molecular FormulaC27H26N8
Molecular Weight462.56 g/mol
Exact Mass462.23
IUPAC Name2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2-c2nn[nH]n2)c1
InChIInChI=1S/C27H26N8/c1-4-24-29-25-17(2)13-18(3)28-27(25)35(24)15-19-9-10-23-20(14-19)11-12-34(23)16-21-7-5-6-8-22(21)26-30-32-33-31-26/h5-14H,4,15-16H2,1-3H3,(H,30,31,32,33)
InChIKeyKISRTCGHXIJOLE-UHFFFAOYSA-N
XLogP4.84
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine (CID 10479472) is 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2-c2nn[nH]n2)c1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is KISRTCGHXIJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8/c1-4-24-29-25-17(2)13-18(3)28-27(25)35(24)15-19-9-10-23-20(14-19)11-12-34(23)16-21-7-5-6-8-22(21)26-30-32-33-31-26/h5-14H,4,15-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 462.56 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-3-[[1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]indol-5-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 10479472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).