2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine

C24H23N7OS — CID 19008894

IUPAC2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1C1CCOc2sc(-c3ccccc3-c3nn[nH]n3)cc21
InChIInChI=1S/C24H23N7OS/c1-4-20-26-21-13(2)11-14(3)25-23(21)31(20)18-9-10-32-24-17(18)12-19(33-24)15-7-5-6-8-16(15)22-27-29-30-28-22/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,27,28,29,30)
InChIKeyVXMJXZGUJZWBEY-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.89
Rot. Bonds4

About 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine

2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine (PubChem CID 19008894) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine
PubChem CID19008894
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine
SMILESCCc1nc2c(C)cc(C)nc2n1C1CCOc2sc(-c3ccccc3-c3nn[nH]n3)cc21
InChIInChI=1S/C24H23N7OS/c1-4-20-26-21-13(2)11-14(3)25-23(21)31(20)18-9-10-32-24-17(18)12-19(33-24)15-7-5-6-8-16(15)22-27-29-30-28-22/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,27,28,29,30)
InChIKeyVXMJXZGUJZWBEY-UHFFFAOYSA-N
XLogP4.89
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-phenyl-thiophen-2-ylmethanol
CID 156855168
US10981879, Example 98
CID 130378549
[1-ethyl-5-methoxy-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(thiophen-2-yl)methanol
CID 166752058
[1-ethyl-5-methoxy-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(thiophen-3-yl)methanol
CID 168740451
[1-ethyl-5-methoxy-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl](phenyl)(thiophen-3-yl)methanol
CID 171034281
2-Ethoxy-6-(1-methylbenzimidazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 72197972
2-ethyl-5,7-dimethyl-3-[[(11E)-11-(2H-tetrazol-5-ylmethylidene)-6H-benzo[c][1]benzoxepin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 44211067
6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
CID 172725025
2-ethyl-7-methyl-3-[[2-(4-methylphenyl)-2-(2H-tetrazol-5-yl)-1,3-benzoxathiol-6-yl]methyl]imidazo[4,5-b]pyridine
CID 44210838
2-ethyl-5,7-dimethyl-3-[[(11Z)-11-(2H-tetrazol-5-ylmethylidene)-6H-benzo[c][1]benzoxepin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 18998718
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
2-butyl-5-(dimethoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-thiophen-2-ylimidazo[4,5-b]pyridine
CID 22100409

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine (CID 19008894) is 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1C1CCOc2sc(-c3ccccc3-c3nn[nH]n3)cc21.
What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is VXMJXZGUJZWBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7OS/c1-4-20-26-21-13(2)11-14(3)25-23(21)31(20)18-9-10-32-24-17(18)12-19(33-24)15-7-5-6-8-16(15)22-27-29-30-28-22/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,27,28,29,30).
What are the key properties of 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine?
2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 457.56 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-3-[6-[2-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 19008894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).