1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide

C17H20N6O3S — CID 69006631

IUPAC1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1nc(CN2CCS(O)(O)CC2)c2ccccn12
InChIInChI=1S/C17H20N6O3S/c24-16(21-17-18-5-3-6-19-17)15-20-13(14-4-1-2-7-23(14)15)12-22-8-10-27(25,26)11-9-22/h1-7,25-26H,8-12H2,(H,18,19,21,24)
InChIKeyQRUDNUPXYIGROK-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.94
Rot. Bonds4

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

1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 69006631) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID69006631
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1nc(CN2CCS(O)(O)CC2)c2ccccn12
InChIInChI=1S/C17H20N6O3S/c24-16(21-17-18-5-3-6-19-17)15-20-13(14-4-1-2-7-23(14)15)12-22-8-10-27(25,26)11-9-22/h1-7,25-26H,8-12H2,(H,18,19,21,24)
InChIKeyQRUDNUPXYIGROK-UHFFFAOYSA-N
XLogP1.94
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide (CID 69006631) is 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ncccn1)c1nc(CN2CCS(O)(O)CC2)c2ccccn12.
What is the InChIKey of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QRUDNUPXYIGROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c24-16(21-17-18-5-3-6-19-17)15-20-13(14-4-1-2-7-23(14)15)12-22-8-10-27(25,26)11-9-22/h1-7,25-26H,8-12H2,(H,18,19,21,24).
What are the key properties of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.94, 4 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-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 69006631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).