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

C26H25N7O — CID 19008943

IUPAC2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1C1CCOc2cc(-c3ccccc3-c3nn[nH]n3)ccc21
InChIInChI=1S/C26H25N7O/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)21-11-12-34-22-14-17(9-10-20(21)22)18-7-5-6-8-19(18)25-29-31-32-30-25/h5-10,13-14,21H,4,11-12H2,1-3H3,(H,29,30,31,32)
InChIKeyAZKOXDMCRLYWTD-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.83
Rot. Bonds4

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

2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine (PubChem CID 19008943) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine
PubChem CID19008943
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1C1CCOc2cc(-c3ccccc3-c3nn[nH]n3)ccc21
InChIInChI=1S/C26H25N7O/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)21-11-12-34-22-14-17(9-10-20(21)22)18-7-5-6-8-19(18)25-29-31-32-30-25/h5-10,13-14,21H,4,11-12H2,1-3H3,(H,29,30,31,32)
InChIKeyAZKOXDMCRLYWTD-UHFFFAOYSA-N
XLogP4.83
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.83
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-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine (CID 19008943) is 2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1C1CCOc2cc(-c3ccccc3-c3nn[nH]n3)ccc21.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is AZKOXDMCRLYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)21-11-12-34-22-14-17(9-10-20(21)22)18-7-5-6-8-19(18)25-29-31-32-30-25/h5-10,13-14,21H,4,11-12H2,1-3H3,(H,29,30,31,32).
What are the key properties of 2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 451.53 g/mol, XLogP of 4.83, 4 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-[7-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-chromen-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 19008943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).