N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C21H23N3O5S — CID 97253177

IUPACN-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccccc3C(=O)NC[C@@H]3CS(=O)(=O)CCO3)nc12
InChIInChI=1S/C21H23N3O5S/c1-15-5-4-8-24-12-16(23-20(15)24)13-29-19-7-3-2-6-18(19)21(25)22-11-17-14-30(26,27)10-9-28-17/h2-8,12,17H,9-11,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyCVFVFSCJIAQZEP-QGZVFWFLSA-N
MW429.50 g/mol
LogP1.77
Rot. Bonds6

About N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 97253177) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID97253177
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccccc3C(=O)NC[C@@H]3CS(=O)(=O)CCO3)nc12
InChIInChI=1S/C21H23N3O5S/c1-15-5-4-8-24-12-16(23-20(15)24)13-29-19-7-3-2-6-18(19)21(25)22-11-17-14-30(26,27)10-9-28-17/h2-8,12,17H,9-11,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyCVFVFSCJIAQZEP-QGZVFWFLSA-N
XLogP1.77
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 97253177) is N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccccc3C(=O)NC[C@@H]3CS(=O)(=O)CCO3)nc12.
What is the InChIKey of N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is CVFVFSCJIAQZEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-15-5-4-8-24-12-16(23-20(15)24)13-29-19-7-3-2-6-18(19)21(25)22-11-17-14-30(26,27)10-9-28-17/h2-8,12,17H,9-11,13-14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 429.50 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4,4-dioxo-1,4-oxathian-2-yl]methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 97253177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).