1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide

C19H23N5O4S — CID 69006322

IUPAC1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ncccc1NC(=O)c1nc(CN2CCS(O)(O)CC2)c2ccccn12
InChIInChI=1S/C19H23N5O4S/c1-28-19-14(5-4-7-20-19)22-18(25)17-21-15(16-6-2-3-8-24(16)17)13-23-9-11-29(26,27)12-10-23/h2-8,26-27H,9-13H2,1H3,(H,22,25)
InChIKeyZEJYKXRHVWCJRK-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.56
Rot. Bonds5

About 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide

1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 69006322) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID69006322
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ncccc1NC(=O)c1nc(CN2CCS(O)(O)CC2)c2ccccn12
InChIInChI=1S/C19H23N5O4S/c1-28-19-14(5-4-7-20-19)22-18(25)17-21-15(16-6-2-3-8-24(16)17)13-23-9-11-29(26,27)12-10-23/h2-8,26-27H,9-13H2,1H3,(H,22,25)
InChIKeyZEJYKXRHVWCJRK-UHFFFAOYSA-N
XLogP2.56
TPSA112.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 69006631
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide
CID 57436246
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 58023852
N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 58023395
ethyl 1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
CID 57436228
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
N-(2-methoxy-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60973003
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
1-N-cyclopropyl-3-N-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066589
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
1-N-tert-butyl-3-N-quinolin-8-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071122
N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 58023394

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 69006322) is 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide is COc1ncccc1NC(=O)c1nc(CN2CCS(O)(O)CC2)c2ccccn12.
What is the InChIKey of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZEJYKXRHVWCJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-28-19-14(5-4-7-20-19)22-18(25)17-21-15(16-6-2-3-8-24(16)17)13-23-9-11-29(26,27)12-10-23/h2-8,26-27H,9-13H2,1H3,(H,22,25).
What are the key properties of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide?
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 69006322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).