2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C20H26N6O4 — CID 159621831

IUPAC2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCCOc1cccn2c(C(=O)CC3(c4nnnn4C)COC(C)(C)OC3)c(C)nc12
InChIInChI=1S/C20H26N6O4/c1-6-28-15-8-7-9-26-16(13(2)21-17(15)26)14(27)10-20(18-22-23-24-25(18)5)11-29-19(3,4)30-12-20/h7-9H,6,10-12H2,1-5H3
InChIKeyMNZGRBOZAVQRSJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.86
Rot. Bonds6

About 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 159621831) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID159621831
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC Name2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCCOc1cccn2c(C(=O)CC3(c4nnnn4C)COC(C)(C)OC3)c(C)nc12
InChIInChI=1S/C20H26N6O4/c1-6-28-15-8-7-9-26-16(13(2)21-17(15)26)14(27)10-20(18-22-23-24-25(18)5)11-29-19(3,4)30-12-20/h7-9H,6,10-12H2,1-5H3
InChIKeyMNZGRBOZAVQRSJ-UHFFFAOYSA-N
XLogP1.86
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 159621831) is 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is CCOc1cccn2c(C(=O)CC3(c4nnnn4C)COC(C)(C)OC3)c(C)nc12.
What is the InChIKey of 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is MNZGRBOZAVQRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-6-28-15-8-7-9-26-16(13(2)21-17(15)26)14(27)10-20(18-22-23-24-25(18)5)11-29-19(3,4)30-12-20/h7-9H,6,10-12H2,1-5H3.
What are the key properties of 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 414.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-5-(1-methyltetrazol-5-yl)-1,3-dioxan-5-yl]-1-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 159621831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).