4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide

C21H22N4O2S — CID 71892722

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C21H22N4O2S/c26-20(24-18-5-1-3-11-22-21(18)27)15-7-9-17(10-8-15)28-14-16-13-25-12-4-2-6-19(25)23-16/h2,4,6-10,12-13,18H,1,3,5,11,14H2,(H,22,27)(H,24,26)
InChIKeyPJNPQOPPMHTFRY-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.03
Rot. Bonds5

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide (PubChem CID 71892722) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide
PubChem CID71892722
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C21H22N4O2S/c26-20(24-18-5-1-3-11-22-21(18)27)15-7-9-17(10-8-15)28-14-16-13-25-12-4-2-6-19(25)23-16/h2,4,6-10,12-13,18H,1,3,5,11,14H2,(H,22,27)(H,24,26)
InChIKeyPJNPQOPPMHTFRY-UHFFFAOYSA-N
XLogP3.03
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethylamino)piperidin-2-one
CID 62092514
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
[2-(cyclohexylamino)-2-oxoethyl] 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoate
CID 86934624
N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119616671
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 46559411
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 75403823

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide (CID 71892722) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide is O=C(NC1CCCCNC1=O)c1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is PJNPQOPPMHTFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-20(24-18-5-1-3-11-22-21(18)27)15-7-9-17(10-8-15)28-14-16-13-25-12-4-2-6-19(25)23-16/h2,4,6-10,12-13,18H,1,3,5,11,14H2,(H,22,27)(H,24,26).
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 71892722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).