6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide

C14H17ClN4O4S — CID 129097450

IUPAC6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)c1cc(Cl)c2c(C(N)=O)ncn2c1N1CCS(O)(O)CC1
InChIInChI=1S/C14H17ClN4O4S/c1-8(20)9-6-10(15)12-11(13(16)21)17-7-19(12)14(9)18-2-4-24(22,23)5-3-18/h6-7,22-23H,2-5H2,1H3,(H2,16,21)
InChIKeyKNPREEBOEDHVHH-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.86
Rot. Bonds3

About 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide

6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 129097450) has the molecular formula C14H17ClN4O4S and a molecular weight of 372.83 g/mol. Its IUPAC name is 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID129097450
Molecular FormulaC14H17ClN4O4S
Molecular Weight372.83 g/mol
Exact Mass372.07
IUPAC Name6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)c1cc(Cl)c2c(C(N)=O)ncn2c1N1CCS(O)(O)CC1
InChIInChI=1S/C14H17ClN4O4S/c1-8(20)9-6-10(15)12-11(13(16)21)17-7-19(12)14(9)18-2-4-24(22,23)5-3-18/h6-7,22-23H,2-5H2,1H3,(H2,16,21)
InChIKeyKNPREEBOEDHVHH-UHFFFAOYSA-N
XLogP1.86
TPSA121.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide (CID 129097450) is 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide is CC(=O)c1cc(Cl)c2c(C(N)=O)ncn2c1N1CCS(O)(O)CC1.
What is the InChIKey of 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KNPREEBOEDHVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4S/c1-8(20)9-6-10(15)12-11(13(16)21)17-7-19(12)14(9)18-2-4-24(22,23)5-3-18/h6-7,22-23H,2-5H2,1H3,(H2,16,21).
What are the key properties of 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide?
6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 372.83 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-chloro-5-(1,1-dihydroxy-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 129097450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).