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

C27H28N8 — CID 10322211

IUPAC2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C27H28N8/c1-4-23-29-24-17(2)14-18(3)28-27(24)35(23)16-19-10-11-22-21(15-19)12-13-34(22)25(26-30-32-33-31-26)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16H2,1-3H3,(H,30,31,32,33)
InChIKeyZELQUYXTQDXAIN-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.32
Rot. Bonds6

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

2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 10322211) has the molecular formula C27H28N8 and a molecular weight of 464.58 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID10322211
Molecular FormulaC27H28N8
Molecular Weight464.58 g/mol
Exact Mass464.24
IUPAC Name2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C27H28N8/c1-4-23-29-24-17(2)14-18(3)28-27(24)35(23)16-19-10-11-22-21(15-19)12-13-34(22)25(26-30-32-33-31-26)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16H2,1-3H3,(H,30,31,32,33)
InChIKeyZELQUYXTQDXAIN-UHFFFAOYSA-N
XLogP4.32
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.32
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-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine (CID 10322211) is 2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is ZELQUYXTQDXAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8/c1-4-23-29-24-17(2)14-18(3)28-27(24)35(23)16-19-10-11-22-21(15-19)12-13-34(22)25(26-30-32-33-31-26)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[[1-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 464.58 g/mol, XLogP of 4.32, 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-[phenyl(2H-tetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 10322211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).