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

C18H19N5O3S — CID 58023852

IUPAC1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12
InChIInChI=1S/C18H19N5O3S/c24-18(21-16-6-1-3-7-19-16)17-20-14(15-5-2-4-8-23(15)17)13-22-9-11-27(25,26)12-10-22/h1-8H,9-13H2,(H,19,21,24)
InChIKeyQFPAJRUQFILZAA-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.21
Rot. Bonds4

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

1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023852) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023852
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12
InChIInChI=1S/C18H19N5O3S/c24-18(21-16-6-1-3-7-19-16)17-20-14(15-5-2-4-8-23(15)17)13-22-9-11-27(25,26)12-10-22/h1-8H,9-13H2,(H,19,21,24)
InChIKeyQFPAJRUQFILZAA-UHFFFAOYSA-N
XLogP1.21
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide (CID 58023852) is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ccccn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QFPAJRUQFILZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c24-18(21-16-6-1-3-7-19-16)17-20-14(15-5-2-4-8-23(15)17)13-22-9-11-27(25,26)12-10-22/h1-8H,9-13H2,(H,19,21,24).
What are the key properties of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide?
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).